7-cyano-8-(4-methoxy-4-methylpiperidin-1-yl)-6-oxo-N-(2-pyrrolidin-1-ylethyl)-5H-1,5-naphthyridine-2-carboxamide

C23H30N6O3 — CID 164708366

IUPAC7-cyano-8-(4-methoxy-4-methylpiperidin-1-yl)-6-oxo-N-(2-pyrrolidin-1-ylethyl)-5H-1,5-naphthyridine-2-carboxamide
SMILESCOC1(C)CCN(c2c(C#N)c(=O)[nH]c3ccc(C(=O)NCCN4CCCC4)nc23)CC1
InChIInChI=1S/C23H30N6O3/c1-23(32-2)7-12-29(13-8-23)20-16(15-24)21(30)27-17-5-6-18(26-19(17)20)22(31)25-9-14-28-10-3-4-11-28/h5-6H,3-4,7-14H2,1-2H3,(H,25,31)(H,27,30)
InChIKeyXOGWGCMZLVSHKO-UHFFFAOYSA-N
MW438.53 g/mol
LogP1.63
Rot. Bonds6

About 7-cyano-8-(4-methoxy-4-methylpiperidin-1-yl)-6-oxo-N-(2-pyrrolidin-1-ylethyl)-5H-1,5-naphthyridine-2-carboxamide

7-cyano-8-(4-methoxy-4-methylpiperidin-1-yl)-6-oxo-N-(2-pyrrolidin-1-ylethyl)-5H-1,5-naphthyridine-2-carboxamide (PubChem CID 164708366) has the molecular formula C23H30N6O3 and a molecular weight of 438.53 g/mol. Its IUPAC name is 7-cyano-8-(4-methoxy-4-methylpiperidin-1-yl)-6-oxo-N-(2-pyrrolidin-1-ylethyl)-5H-1,5-naphthyridine-2-carboxamide.

Molecular Properties

Compound Name7-cyano-8-(4-methoxy-4-methylpiperidin-1-yl)-6-oxo-N-(2-pyrrolidin-1-ylethyl)-5H-1,5-naphthyridine-2-carboxamide
PubChem CID164708366
Molecular FormulaC23H30N6O3
Molecular Weight438.53 g/mol
Exact Mass438.24
IUPAC Name7-cyano-8-(4-methoxy-4-methylpiperidin-1-yl)-6-oxo-N-(2-pyrrolidin-1-ylethyl)-5H-1,5-naphthyridine-2-carboxamide
SMILESCOC1(C)CCN(c2c(C#N)c(=O)[nH]c3ccc(C(=O)NCCN4CCCC4)nc23)CC1
InChIInChI=1S/C23H30N6O3/c1-23(32-2)7-12-29(13-8-23)20-16(15-24)21(30)27-17-5-6-18(26-19(17)20)22(31)25-9-14-28-10-3-4-11-28/h5-6H,3-4,7-14H2,1-2H3,(H,25,31)(H,27,30)
InChIKeyXOGWGCMZLVSHKO-UHFFFAOYSA-N
XLogP1.63
TPSA114.35 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.53
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

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
3-cyano-4-(4-methoxy-4-methylpiperidin-1-yl)-2-oxo-N-(2-pyrrolidin-1-ylethyl)-1H-1,7-naphthyridine-6-carboxamide
CID 138518224
6-acetyl-4-(4-methoxy-4-methylpiperidin-1-yl)-2-oxo-1H-1,5-naphthyridine-3-carbonitrile
CID 155119085
N-(2-aminoethyl)-8-(6-azaspiro[2.5]octan-6-yl)-7-cyano-6-oxo-5H-1,5-naphthyridine-2-carboxamide
CID 155019244
3-ethynyl-4-(4-methoxy-4-methylpiperidin-1-yl)-2-oxo-N-(2-pyrrolidin-1-ylethyl)-1H-quinoline-6-carboxamide
CID 163727840
3-cyano-1-[[1-[3-cyano-6-[2-(dimethylamino)ethylcarbamoyl]-2-oxo-1H-quinolin-4-yl]-4-methylpiperidin-4-yl]oxymethyl]-4-(4-methoxy-4-methylpiperidin-1-yl)-2-oxo-N-(2-pyrrolidin-1-ylethyl)quinoline-6-carboxamide
CID 166985833
6-[cyclopropyl(hydroxy)methyl]-4-(4-methoxy-4-methylpiperidin-1-yl)-2-oxo-1H-1,5-naphthyridine-3-carbonitrile
CID 164708397
5-fluoro-4-(4-methoxy-4-methylpiperidin-1-yl)-6-methyl-2-oxo-1H-quinoline-3-carbonitrile
CID 165071805
3-ethynyl-4-(4-methoxy-4-methylpiperidin-1-yl)-1H-1,5-naphthyridin-2-one
CID 164998222
4-(6-azaspiro[2.5]octan-6-yl)-3-cyano-N-(2-methoxyethyl)-2-oxo-1H-quinoline-6-carboxamide
CID 154993590
4-(6-azaspiro[2.5]octan-6-yl)-6-(hydroxymethyl)-2-oxo-1H-1,5-naphthyridine-3-carbonitrile
CID 155019535
6-(1-hydroxycyclobutyl)-4-(4-methoxy-4-methylpiperidin-1-yl)-2-oxo-1H-quinoline-3-carbonitrile
CID 166985710

Frequently Asked Questions

What is the IUPAC name of 7-cyano-8-(4-methoxy-4-methylpiperidin-1-yl)-6-oxo-N-(2-pyrrolidin-1-ylethyl)-5H-1,5-naphthyridine-2-carboxamide?
The IUPAC name of 7-cyano-8-(4-methoxy-4-methylpiperidin-1-yl)-6-oxo-N-(2-pyrrolidin-1-ylethyl)-5H-1,5-naphthyridine-2-carboxamide (CID 164708366) is 7-cyano-8-(4-methoxy-4-methylpiperidin-1-yl)-6-oxo-N-(2-pyrrolidin-1-ylethyl)-5H-1,5-naphthyridine-2-carboxamide.
What is the SMILES notation for 7-cyano-8-(4-methoxy-4-methylpiperidin-1-yl)-6-oxo-N-(2-pyrrolidin-1-ylethyl)-5H-1,5-naphthyridine-2-carboxamide?
The canonical SMILES for 7-cyano-8-(4-methoxy-4-methylpiperidin-1-yl)-6-oxo-N-(2-pyrrolidin-1-ylethyl)-5H-1,5-naphthyridine-2-carboxamide is COC1(C)CCN(c2c(C#N)c(=O)[nH]c3ccc(C(=O)NCCN4CCCC4)nc23)CC1.
What is the InChIKey of 7-cyano-8-(4-methoxy-4-methylpiperidin-1-yl)-6-oxo-N-(2-pyrrolidin-1-ylethyl)-5H-1,5-naphthyridine-2-carboxamide?
The InChIKey is XOGWGCMZLVSHKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N6O3/c1-23(32-2)7-12-29(13-8-23)20-16(15-24)21(30)27-17-5-6-18(26-19(17)20)22(31)25-9-14-28-10-3-4-11-28/h5-6H,3-4,7-14H2,1-2H3,(H,25,31)(H,27,30).
What are the key properties of 7-cyano-8-(4-methoxy-4-methylpiperidin-1-yl)-6-oxo-N-(2-pyrrolidin-1-ylethyl)-5H-1,5-naphthyridine-2-carboxamide?
7-cyano-8-(4-methoxy-4-methylpiperidin-1-yl)-6-oxo-N-(2-pyrrolidin-1-ylethyl)-5H-1,5-naphthyridine-2-carboxamide has a molecular weight of 438.53 g/mol, XLogP of 1.63, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-cyano-8-(4-methoxy-4-methylpiperidin-1-yl)-6-oxo-N-(2-pyrrolidin-1-ylethyl)-5H-1,5-naphthyridine-2-carboxamide is sourced from PubChem (CID 164708366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).