N-[2-(4,4-difluoropiperidin-1-yl)ethyl]-2-[2-(4,4-difluoropiperidin-1-yl)ethylamino]-1-ethyl-4-oxo-7-[4-(pyridin-3-ylmethylcarbamoylamino)phenyl]-1,8-naphthyridine-3-carboxamide

C38H45F4N9O3 — CID 67436500

IUPACN-[2-(4,4-difluoropiperidin-1-yl)ethyl]-2-[2-(4,4-difluoropiperidin-1-yl)ethylamino]-1-ethyl-4-oxo-7-[4-(pyridin-3-ylmethylcarbamoylamino)phenyl]-1,8-naphthyridine-3-carboxamide
SMILESCCn1c(NCCN2CCC(F)(F)CC2)c(C(=O)NCCN2CCC(F)(F)CC2)c(=O)c2ccc(-c3ccc(NC(=O)NCc4cccnc4)cc3)nc21
InChIInChI=1S/C38H45F4N9O3/c1-2-51-33-29(9-10-30(48-33)27-5-7-28(8-6-27)47-36(54)46-25-26-4-3-15-43-24-26)32(52)31(34(51)44-16-22-49-18-11-37(39,40)12-19-49)35(53)45-17-23-50-20-13-38(41,42)14-21-50/h3-10,15,24,44H,2,11-14,16-23,25H2,1H3,(H,45,53)(H2,46,47,54)
InChIKeyHXKMZUQYWCIYAO-UHFFFAOYSA-N
MW751.83 g/mol
LogP5.40
Rot. Bonds13

About N-[2-(4,4-difluoropiperidin-1-yl)ethyl]-2-[2-(4,4-difluoropiperidin-1-yl)ethylamino]-1-ethyl-4-oxo-7-[4-(pyridin-3-ylmethylcarbamoylamino)phenyl]-1,8-naphthyridine-3-carboxamide

N-[2-(4,4-difluoropiperidin-1-yl)ethyl]-2-[2-(4,4-difluoropiperidin-1-yl)ethylamino]-1-ethyl-4-oxo-7-[4-(pyridin-3-ylmethylcarbamoylamino)phenyl]-1,8-naphthyridine-3-carboxamide (PubChem CID 67436500) has the molecular formula C38H45F4N9O3 and a molecular weight of 751.83 g/mol. Its IUPAC name is N-[2-(4,4-difluoropiperidin-1-yl)ethyl]-2-[2-(4,4-difluoropiperidin-1-yl)ethylamino]-1-ethyl-4-oxo-7-[4-(pyridin-3-ylmethylcarbamoylamino)phenyl]-1,8-naphthyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(4,4-difluoropiperidin-1-yl)ethyl]-2-[2-(4,4-difluoropiperidin-1-yl)ethylamino]-1-ethyl-4-oxo-7-[4-(pyridin-3-ylmethylcarbamoylamino)phenyl]-1,8-naphthyridine-3-carboxamide
PubChem CID67436500
Molecular FormulaC38H45F4N9O3
Molecular Weight751.83 g/mol
Exact Mass751.36
IUPAC NameN-[2-(4,4-difluoropiperidin-1-yl)ethyl]-2-[2-(4,4-difluoropiperidin-1-yl)ethylamino]-1-ethyl-4-oxo-7-[4-(pyridin-3-ylmethylcarbamoylamino)phenyl]-1,8-naphthyridine-3-carboxamide
SMILESCCn1c(NCCN2CCC(F)(F)CC2)c(C(=O)NCCN2CCC(F)(F)CC2)c(=O)c2ccc(-c3ccc(NC(=O)NCc4cccnc4)cc3)nc21
InChIInChI=1S/C38H45F4N9O3/c1-2-51-33-29(9-10-30(48-33)27-5-7-28(8-6-27)47-36(54)46-25-26-4-3-15-43-24-26)32(52)31(34(51)44-16-22-49-18-11-37(39,40)12-19-49)35(53)45-17-23-50-20-13-38(41,42)14-21-50/h3-10,15,24,44H,2,11-14,16-23,25H2,1H3,(H,45,53)(H2,46,47,54)
InChIKeyHXKMZUQYWCIYAO-UHFFFAOYSA-N
XLogP5.40
TPSA136.52 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds13
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500751.83
LogP ≤ 55.40
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Analyze N-[2-(4,4-difluoropiperidin-1-yl)ethyl]-2-[2-(4,4-difluoropiperidin-1-yl)ethylamino]-1-ethyl-4-oxo-7-[4-(pyridin-3-ylmethylcarbamoylamino)phenyl]-1,8-naphthyridine-3-carboxamide with MolForge

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Related Compounds

1-ethyl-4-oxo-7-[4-(pyridin-3-ylmethylcarbamoylamino)phenyl]-N-(2-pyrrolidin-1-ylethyl)-2-(2-pyrrolidin-1-ylethylamino)-1,8-naphthyridine-3-carboxamide
CID 44609919
2-amino-N-(6-aminohexyl)-1-ethyl-4-oxo-7-[4-(pyridin-3-ylmethylcarbamoylamino)phenyl]-1,8-naphthyridine-3-carboxamide
CID 67079695
2-amino-N-methyl-4-oxo-7-[4-(pyridin-3-ylmethylcarbamoylamino)phenyl]-1-(2-pyrrolidin-1-ylethyl)-1,8-naphthyridine-3-carboxamide
CID 67079913
2-amino-N-methyl-7-[4-[[methyl(pyridin-3-ylmethyl)carbamoyl]amino]phenyl]-1-(2-morpholin-4-ylethyl)-4-oxo-1,8-naphthyridine-3-carboxamide
CID 67079775
N-methyl-2-(pyridin-4-ylmethylamino)-6-[4-(pyridin-3-ylmethylcarbamoylamino)phenyl]pyridine-3-carboxamide
CID 25234959
2-chloro-4-fluoro-5-[[4-(pyridin-3-ylmethylcarbamoylamino)phenyl]sulfamoyl]-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 152757189
1-(4-iodophenyl)-3-(pyridin-3-ylmethyl)urea
CID 47125675
5-(2-morpholin-4-ylethylamino)-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide
CID 109185798
5-methyl-4-phenyl-N-(3-piperidin-1-ylpropyl)-1-[4-(pyridin-3-ylmethylcarbamoylamino)phenyl]pyrazole-3-carboxamide
CID 71165104
1-(2-tert-butyl-1,3-dioxoisoindol-5-yl)-3-(pyridin-3-ylmethyl)urea
CID 108873203
1-(4-acetylphenyl)-3-(pyridin-3-ylmethyl)urea
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Frequently Asked Questions

What is the IUPAC name of N-[2-(4,4-difluoropiperidin-1-yl)ethyl]-2-[2-(4,4-difluoropiperidin-1-yl)ethylamino]-1-ethyl-4-oxo-7-[4-(pyridin-3-ylmethylcarbamoylamino)phenyl]-1,8-naphthyridine-3-carboxamide?
The IUPAC name of N-[2-(4,4-difluoropiperidin-1-yl)ethyl]-2-[2-(4,4-difluoropiperidin-1-yl)ethylamino]-1-ethyl-4-oxo-7-[4-(pyridin-3-ylmethylcarbamoylamino)phenyl]-1,8-naphthyridine-3-carboxamide (CID 67436500) is N-[2-(4,4-difluoropiperidin-1-yl)ethyl]-2-[2-(4,4-difluoropiperidin-1-yl)ethylamino]-1-ethyl-4-oxo-7-[4-(pyridin-3-ylmethylcarbamoylamino)phenyl]-1,8-naphthyridine-3-carboxamide.
What is the SMILES notation for N-[2-(4,4-difluoropiperidin-1-yl)ethyl]-2-[2-(4,4-difluoropiperidin-1-yl)ethylamino]-1-ethyl-4-oxo-7-[4-(pyridin-3-ylmethylcarbamoylamino)phenyl]-1,8-naphthyridine-3-carboxamide?
The canonical SMILES for N-[2-(4,4-difluoropiperidin-1-yl)ethyl]-2-[2-(4,4-difluoropiperidin-1-yl)ethylamino]-1-ethyl-4-oxo-7-[4-(pyridin-3-ylmethylcarbamoylamino)phenyl]-1,8-naphthyridine-3-carboxamide is CCn1c(NCCN2CCC(F)(F)CC2)c(C(=O)NCCN2CCC(F)(F)CC2)c(=O)c2ccc(-c3ccc(NC(=O)NCc4cccnc4)cc3)nc21.
What is the InChIKey of N-[2-(4,4-difluoropiperidin-1-yl)ethyl]-2-[2-(4,4-difluoropiperidin-1-yl)ethylamino]-1-ethyl-4-oxo-7-[4-(pyridin-3-ylmethylcarbamoylamino)phenyl]-1,8-naphthyridine-3-carboxamide?
The InChIKey is HXKMZUQYWCIYAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H45F4N9O3/c1-2-51-33-29(9-10-30(48-33)27-5-7-28(8-6-27)47-36(54)46-25-26-4-3-15-43-24-26)32(52)31(34(51)44-16-22-49-18-11-37(39,40)12-19-49)35(53)45-17-23-50-20-13-38(41,42)14-21-50/h3-10,15,24,44H,2,11-14,16-23,25H2,1H3,(H,45,53)(H2,46,47,54).
What are the key properties of N-[2-(4,4-difluoropiperidin-1-yl)ethyl]-2-[2-(4,4-difluoropiperidin-1-yl)ethylamino]-1-ethyl-4-oxo-7-[4-(pyridin-3-ylmethylcarbamoylamino)phenyl]-1,8-naphthyridine-3-carboxamide?
N-[2-(4,4-difluoropiperidin-1-yl)ethyl]-2-[2-(4,4-difluoropiperidin-1-yl)ethylamino]-1-ethyl-4-oxo-7-[4-(pyridin-3-ylmethylcarbamoylamino)phenyl]-1,8-naphthyridine-3-carboxamide has a molecular weight of 751.83 g/mol, XLogP of 5.40, 13 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4,4-difluoropiperidin-1-yl)ethyl]-2-[2-(4,4-difluoropiperidin-1-yl)ethylamino]-1-ethyl-4-oxo-7-[4-(pyridin-3-ylmethylcarbamoylamino)phenyl]-1,8-naphthyridine-3-carboxamide is sourced from PubChem (CID 67436500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).