7-cyano-5-[[1-[3-cyano-6-[2-(dimethylamino)ethylcarbamoyl]-2-oxo-1H-1,5-naphthyridin-4-yl]-4-methylpiperidin-4-yl]oxymethyl]-8-[4-[[3-cyano-4-(4-methoxy-4-methylpiperidin-1-yl)-6-[(1-methylpiperidin-4-yl)methylcarbamoyl]-2-oxo-1,5-naphthyridin-1-yl]methoxy]-4-methylpiperidin-1-yl]-6-oxo-N-(2-pyrrolidin-1-ylethyl)-1,5-naphthyridine-2-carboxamide

C68H86N18O9 — CID 166986119

IUPAC7-cyano-5-[[1-[3-cyano-6-[2-(dimethylamino)ethylcarbamoyl]-2-oxo-1H-1,5-naphthyridin-4-yl]-4-methylpiperidin-4-yl]oxymethyl]-8-[4-[[3-cyano-4-(4-methoxy-4-methylpiperidin-1-yl)-6-[(1-methylpiperidin-4-yl)methylcarbamoyl]-2-oxo-1,5-naphthyridin-1-yl]methoxy]-4-methylpiperidin-1-yl]-6-oxo-N-(2-pyrrolidin-1-ylethyl)-1,5-naphthyridine-2-carboxamide
SMILESCOC1(C)CCN(c2c(C#N)c(=O)n(COC3(C)CCN(c4c(C#N)c(=O)n(COC5(C)CCN(c6c(C#N)c(=O)[nH]c7ccc(C(=O)NCCN(C)C)nc67)CC5)c5ccc(C(=O)NCCN6CCCC6)nc45)CC3)c3ccc(C(=O)NCC4CCN(C)CC4)nc23)CC1
InChIInChI=1S/C68H86N18O9/c1-66(93-7)18-30-83(31-19-66)58-46(39-70)64(91)86(53-15-13-51(77-56(53)58)63(90)74-41-44-16-28-80(6)29-17-44)43-95-68(3)22-34-84(35-23-68)59-47(40-71)65(92)85(52-14-12-50(76-55(52)59)62(89)73-25-37-81-26-8-9-27-81)42-94-67(2)20-32-82(33-21-67)57-45(38-69)60(87)78-48-10-11-49(75-54(48)57)61(88)72-24-36-79(4)5/h10-15,44H,8-9,16-37,41-43H2,1-7H3,(H,72,88)(H,73,89)(H,74,90)(H,78,87)
InChIKeyYLKASCJAAVTXBQ-UHFFFAOYSA-N
MW1299.55 g/mol
LogP4.22
Rot. Bonds21

About 7-cyano-5-[[1-[3-cyano-6-[2-(dimethylamino)ethylcarbamoyl]-2-oxo-1H-1,5-naphthyridin-4-yl]-4-methylpiperidin-4-yl]oxymethyl]-8-[4-[[3-cyano-4-(4-methoxy-4-methylpiperidin-1-yl)-6-[(1-methylpiperidin-4-yl)methylcarbamoyl]-2-oxo-1,5-naphthyridin-1-yl]methoxy]-4-methylpiperidin-1-yl]-6-oxo-N-(2-pyrrolidin-1-ylethyl)-1,5-naphthyridine-2-carboxamide

7-cyano-5-[[1-[3-cyano-6-[2-(dimethylamino)ethylcarbamoyl]-2-oxo-1H-1,5-naphthyridin-4-yl]-4-methylpiperidin-4-yl]oxymethyl]-8-[4-[[3-cyano-4-(4-methoxy-4-methylpiperidin-1-yl)-6-[(1-methylpiperidin-4-yl)methylcarbamoyl]-2-oxo-1,5-naphthyridin-1-yl]methoxy]-4-methylpiperidin-1-yl]-6-oxo-N-(2-pyrrolidin-1-ylethyl)-1,5-naphthyridine-2-carboxamide (PubChem CID 166986119) has the molecular formula C68H86N18O9 and a molecular weight of 1299.55 g/mol. Its IUPAC name is 7-cyano-5-[[1-[3-cyano-6-[2-(dimethylamino)ethylcarbamoyl]-2-oxo-1H-1,5-naphthyridin-4-yl]-4-methylpiperidin-4-yl]oxymethyl]-8-[4-[[3-cyano-4-(4-methoxy-4-methylpiperidin-1-yl)-6-[(1-methylpiperidin-4-yl)methylcarbamoyl]-2-oxo-1,5-naphthyridin-1-yl]methoxy]-4-methylpiperidin-1-yl]-6-oxo-N-(2-pyrrolidin-1-ylethyl)-1,5-naphthyridine-2-carboxamide.

Molecular Properties

Compound Name7-cyano-5-[[1-[3-cyano-6-[2-(dimethylamino)ethylcarbamoyl]-2-oxo-1H-1,5-naphthyridin-4-yl]-4-methylpiperidin-4-yl]oxymethyl]-8-[4-[[3-cyano-4-(4-methoxy-4-methylpiperidin-1-yl)-6-[(1-methylpiperidin-4-yl)methylcarbamoyl]-2-oxo-1,5-naphthyridin-1-yl]methoxy]-4-methylpiperidin-1-yl]-6-oxo-N-(2-pyrrolidin-1-ylethyl)-1,5-naphthyridine-2-carboxamide
PubChem CID166986119
Molecular FormulaC68H86N18O9
Molecular Weight1299.55 g/mol
Exact Mass1298.68
IUPAC Name7-cyano-5-[[1-[3-cyano-6-[2-(dimethylamino)ethylcarbamoyl]-2-oxo-1H-1,5-naphthyridin-4-yl]-4-methylpiperidin-4-yl]oxymethyl]-8-[4-[[3-cyano-4-(4-methoxy-4-methylpiperidin-1-yl)-6-[(1-methylpiperidin-4-yl)methylcarbamoyl]-2-oxo-1,5-naphthyridin-1-yl]methoxy]-4-methylpiperidin-1-yl]-6-oxo-N-(2-pyrrolidin-1-ylethyl)-1,5-naphthyridine-2-carboxamide
SMILESCOC1(C)CCN(c2c(C#N)c(=O)n(COC3(C)CCN(c4c(C#N)c(=O)n(COC5(C)CCN(c6c(C#N)c(=O)[nH]c7ccc(C(=O)NCCN(C)C)nc67)CC5)c5ccc(C(=O)NCCN6CCCC6)nc45)CC3)c3ccc(C(=O)NCC4CCN(C)CC4)nc23)CC1
InChIInChI=1S/C68H86N18O9/c1-66(93-7)18-30-83(31-19-66)58-46(39-70)64(91)86(53-15-13-51(77-56(53)58)63(90)74-41-44-16-28-80(6)29-17-44)43-95-68(3)22-34-84(35-23-68)59-47(40-71)65(92)85(52-14-12-50(76-55(52)59)62(89)73-25-37-81-26-8-9-27-81)42-94-67(2)20-32-82(33-21-67)57-45(38-69)60(87)78-48-10-11-49(75-54(48)57)61(88)72-24-36-79(4)5/h10-15,44H,8-9,16-37,41-43H2,1-7H3,(H,72,88)(H,73,89)(H,74,90)(H,78,87)
InChIKeyYLKASCJAAVTXBQ-UHFFFAOYSA-N
XLogP4.22
TPSA321.33 Ų
H-Bond Donors4
H-Bond Acceptors23
Rotatable Bonds21
Heavy Atoms95
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001299.55
LogP ≤ 54.22
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1023

Analyze 7-cyano-5-[[1-[3-cyano-6-[2-(dimethylamino)ethylcarbamoyl]-2-oxo-1H-1,5-naphthyridin-4-yl]-4-methylpiperidin-4-yl]oxymethyl]-8-[4-[[3-cyano-4-(4-methoxy-4-methylpiperidin-1-yl)-6-[(1-methylpiperidin-4-yl)methylcarbamoyl]-2-oxo-1,5-naphthyridin-1-yl]methoxy]-4-methylpiperidin-1-yl]-6-oxo-N-(2-pyrrolidin-1-ylethyl)-1,5-naphthyridine-2-carboxamide with MolForge

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Related Compounds

8-(6-azaspiro[2.5]octan-6-yl)-7-cyano-N-[(1-methylpiperidin-4-yl)methyl]-6-oxo-5H-1,5-naphthyridine-2-carboxamide
CID 155019247
7-cyano-8-(4-methoxy-4-methylpiperidin-1-yl)-N,N-dimethyl-6-oxo-5H-1,5-naphthyridine-2-carboxamide
CID 155019254
7-cyano-8-(4-methoxy-4-methylpiperidin-1-yl)-N-[(1-methylpiperidin-4-yl)methyl]-6-oxo-5H-1,5-naphthyridine-2-carboxamide
CID 155019269
N-(2-aminoethyl)-7-cyano-8-(4-methoxy-4-methylpiperidin-1-yl)-6-oxo-5H-1,5-naphthyridine-2-carboxamide
CID 155019441
4-(4-methoxy-4-methylpiperidin-1-yl)-6-(2-methylpropanoyl)-2-oxo-1H-1,5-naphthyridine-3-carbonitrile
CID 155019442
6-acetyl-4-(4-methoxy-4-methylpiperidin-1-yl)-2-oxo-1H-1,5-naphthyridine-3-carbonitrile
CID 155119085
Tert-butyl 4-[2-(difluoromethyl)-6-(methylcarbamoyl)-3-pyridinyl]piperazine-1-carboxylate;tert-butyl 4-[2-ethenyl-6-(methylcarbamoyl)-3-pyridinyl]piperazine-1-carboxylate;tert-butyl 4-[2-formyl-6-(methylcarbamoyl)-3-pyridinyl]piperazine-1-carboxylate
CID 159403274
7-cyano-8-(4-methoxy-4-methylpiperidin-1-yl)-6-oxo-N-(2-pyrrolidin-1-ylethyl)-5H-1,5-naphthyridine-2-carboxamide
CID 164708366
7-cyano-8-(4-methoxy-4-methylpiperidin-1-yl)-N-(1-methylazetidin-3-yl)-6-oxo-5H-1,5-naphthyridine-2-carboxamide
CID 164708389
7-cyano-8-(4-methoxy-4-methylpiperidin-1-yl)-N-(1-methylpiperidin-4-yl)-6-oxo-5H-1,5-naphthyridine-2-carboxamide
CID 164708390
7-cyano-N-[2-(dimethylamino)ethyl]-8-(4-methoxy-4-methylpiperidin-1-yl)-6-oxo-5H-1,5-naphthyridine-2-carboxamide
CID 164708405
7-cyano-8-(4-methoxy-4-methylpiperidin-1-yl)-N-methyl-6-oxo-5H-1,5-naphthyridine-2-carboxamide
CID 164708406

Frequently Asked Questions

What is the IUPAC name of 7-cyano-5-[[1-[3-cyano-6-[2-(dimethylamino)ethylcarbamoyl]-2-oxo-1H-1,5-naphthyridin-4-yl]-4-methylpiperidin-4-yl]oxymethyl]-8-[4-[[3-cyano-4-(4-methoxy-4-methylpiperidin-1-yl)-6-[(1-methylpiperidin-4-yl)methylcarbamoyl]-2-oxo-1,5-naphthyridin-1-yl]methoxy]-4-methylpiperidin-1-yl]-6-oxo-N-(2-pyrrolidin-1-ylethyl)-1,5-naphthyridine-2-carboxamide?
The IUPAC name of 7-cyano-5-[[1-[3-cyano-6-[2-(dimethylamino)ethylcarbamoyl]-2-oxo-1H-1,5-naphthyridin-4-yl]-4-methylpiperidin-4-yl]oxymethyl]-8-[4-[[3-cyano-4-(4-methoxy-4-methylpiperidin-1-yl)-6-[(1-methylpiperidin-4-yl)methylcarbamoyl]-2-oxo-1,5-naphthyridin-1-yl]methoxy]-4-methylpiperidin-1-yl]-6-oxo-N-(2-pyrrolidin-1-ylethyl)-1,5-naphthyridine-2-carboxamide (CID 166986119) is 7-cyano-5-[[1-[3-cyano-6-[2-(dimethylamino)ethylcarbamoyl]-2-oxo-1H-1,5-naphthyridin-4-yl]-4-methylpiperidin-4-yl]oxymethyl]-8-[4-[[3-cyano-4-(4-methoxy-4-methylpiperidin-1-yl)-6-[(1-methylpiperidin-4-yl)methylcarbamoyl]-2-oxo-1,5-naphthyridin-1-yl]methoxy]-4-methylpiperidin-1-yl]-6-oxo-N-(2-pyrrolidin-1-ylethyl)-1,5-naphthyridine-2-carboxamide.
What is the SMILES notation for 7-cyano-5-[[1-[3-cyano-6-[2-(dimethylamino)ethylcarbamoyl]-2-oxo-1H-1,5-naphthyridin-4-yl]-4-methylpiperidin-4-yl]oxymethyl]-8-[4-[[3-cyano-4-(4-methoxy-4-methylpiperidin-1-yl)-6-[(1-methylpiperidin-4-yl)methylcarbamoyl]-2-oxo-1,5-naphthyridin-1-yl]methoxy]-4-methylpiperidin-1-yl]-6-oxo-N-(2-pyrrolidin-1-ylethyl)-1,5-naphthyridine-2-carboxamide?
The canonical SMILES for 7-cyano-5-[[1-[3-cyano-6-[2-(dimethylamino)ethylcarbamoyl]-2-oxo-1H-1,5-naphthyridin-4-yl]-4-methylpiperidin-4-yl]oxymethyl]-8-[4-[[3-cyano-4-(4-methoxy-4-methylpiperidin-1-yl)-6-[(1-methylpiperidin-4-yl)methylcarbamoyl]-2-oxo-1,5-naphthyridin-1-yl]methoxy]-4-methylpiperidin-1-yl]-6-oxo-N-(2-pyrrolidin-1-ylethyl)-1,5-naphthyridine-2-carboxamide is COC1(C)CCN(c2c(C#N)c(=O)n(COC3(C)CCN(c4c(C#N)c(=O)n(COC5(C)CCN(c6c(C#N)c(=O)[nH]c7ccc(C(=O)NCCN(C)C)nc67)CC5)c5ccc(C(=O)NCCN6CCCC6)nc45)CC3)c3ccc(C(=O)NCC4CCN(C)CC4)nc23)CC1.
What is the InChIKey of 7-cyano-5-[[1-[3-cyano-6-[2-(dimethylamino)ethylcarbamoyl]-2-oxo-1H-1,5-naphthyridin-4-yl]-4-methylpiperidin-4-yl]oxymethyl]-8-[4-[[3-cyano-4-(4-methoxy-4-methylpiperidin-1-yl)-6-[(1-methylpiperidin-4-yl)methylcarbamoyl]-2-oxo-1,5-naphthyridin-1-yl]methoxy]-4-methylpiperidin-1-yl]-6-oxo-N-(2-pyrrolidin-1-ylethyl)-1,5-naphthyridine-2-carboxamide?
The InChIKey is YLKASCJAAVTXBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H86N18O9/c1-66(93-7)18-30-83(31-19-66)58-46(39-70)64(91)86(53-15-13-51(77-56(53)58)63(90)74-41-44-16-28-80(6)29-17-44)43-95-68(3)22-34-84(35-23-68)59-47(40-71)65(92)85(52-14-12-50(76-55(52)59)62(89)73-25-37-81-26-8-9-27-81)42-94-67(2)20-32-82(33-21-67)57-45(38-69)60(87)78-48-10-11-49(75-54(48)57)61(88)72-24-36-79(4)5/h10-15,44H,8-9,16-37,41-43H2,1-7H3,(H,72,88)(H,73,89)(H,74,90)(H,78,87).
What are the key properties of 7-cyano-5-[[1-[3-cyano-6-[2-(dimethylamino)ethylcarbamoyl]-2-oxo-1H-1,5-naphthyridin-4-yl]-4-methylpiperidin-4-yl]oxymethyl]-8-[4-[[3-cyano-4-(4-methoxy-4-methylpiperidin-1-yl)-6-[(1-methylpiperidin-4-yl)methylcarbamoyl]-2-oxo-1,5-naphthyridin-1-yl]methoxy]-4-methylpiperidin-1-yl]-6-oxo-N-(2-pyrrolidin-1-ylethyl)-1,5-naphthyridine-2-carboxamide?
7-cyano-5-[[1-[3-cyano-6-[2-(dimethylamino)ethylcarbamoyl]-2-oxo-1H-1,5-naphthyridin-4-yl]-4-methylpiperidin-4-yl]oxymethyl]-8-[4-[[3-cyano-4-(4-methoxy-4-methylpiperidin-1-yl)-6-[(1-methylpiperidin-4-yl)methylcarbamoyl]-2-oxo-1,5-naphthyridin-1-yl]methoxy]-4-methylpiperidin-1-yl]-6-oxo-N-(2-pyrrolidin-1-ylethyl)-1,5-naphthyridine-2-carboxamide has a molecular weight of 1299.55 g/mol, XLogP of 4.22, 21 rotatable bonds, 4 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 7-cyano-5-[[1-[3-cyano-6-[2-(dimethylamino)ethylcarbamoyl]-2-oxo-1H-1,5-naphthyridin-4-yl]-4-methylpiperidin-4-yl]oxymethyl]-8-[4-[[3-cyano-4-(4-methoxy-4-methylpiperidin-1-yl)-6-[(1-methylpiperidin-4-yl)methylcarbamoyl]-2-oxo-1,5-naphthyridin-1-yl]methoxy]-4-methylpiperidin-1-yl]-6-oxo-N-(2-pyrrolidin-1-ylethyl)-1,5-naphthyridine-2-carboxamide is sourced from PubChem (CID 166986119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).