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

C23H30N6O3 — CID 138518224

IUPAC3-cyano-4-(4-methoxy-4-methylpiperidin-1-yl)-2-oxo-N-(2-pyrrolidin-1-ylethyl)-1H-1,7-naphthyridine-6-carboxamide
SMILESCOC1(C)CCN(c2c(C#N)c(=O)[nH]c3cnc(C(=O)NCCN4CCCC4)cc23)CC1
InChIInChI=1S/C23H30N6O3/c1-23(32-2)5-10-29(11-6-23)20-16-13-18(22(31)25-7-12-28-8-3-4-9-28)26-15-19(16)27-21(30)17(20)14-24/h13,15H,3-12H2,1-2H3,(H,25,31)(H,27,30)
InChIKeyUVXZPQPDHOIADD-UHFFFAOYSA-N
MW438.53 g/mol
LogP1.63
Rot. Bonds6

About 3-cyano-4-(4-methoxy-4-methylpiperidin-1-yl)-2-oxo-N-(2-pyrrolidin-1-ylethyl)-1H-1,7-naphthyridine-6-carboxamide

3-cyano-4-(4-methoxy-4-methylpiperidin-1-yl)-2-oxo-N-(2-pyrrolidin-1-ylethyl)-1H-1,7-naphthyridine-6-carboxamide (PubChem CID 138518224) has the molecular formula C23H30N6O3 and a molecular weight of 438.53 g/mol. Its IUPAC name is 3-cyano-4-(4-methoxy-4-methylpiperidin-1-yl)-2-oxo-N-(2-pyrrolidin-1-ylethyl)-1H-1,7-naphthyridine-6-carboxamide.

Molecular Properties

Compound Name3-cyano-4-(4-methoxy-4-methylpiperidin-1-yl)-2-oxo-N-(2-pyrrolidin-1-ylethyl)-1H-1,7-naphthyridine-6-carboxamide
PubChem CID138518224
Molecular FormulaC23H30N6O3
Molecular Weight438.53 g/mol
Exact Mass438.24
IUPAC Name3-cyano-4-(4-methoxy-4-methylpiperidin-1-yl)-2-oxo-N-(2-pyrrolidin-1-ylethyl)-1H-1,7-naphthyridine-6-carboxamide
SMILESCOC1(C)CCN(c2c(C#N)c(=O)[nH]c3cnc(C(=O)NCCN4CCCC4)cc23)CC1
InChIInChI=1S/C23H30N6O3/c1-23(32-2)5-10-29(11-6-23)20-16-13-18(22(31)25-7-12-28-8-3-4-9-28)26-15-19(16)27-21(30)17(20)14-24/h13,15H,3-12H2,1-2H3,(H,25,31)(H,27,30)
InChIKeyUVXZPQPDHOIADD-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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Frequently Asked Questions

What is the IUPAC name of 3-cyano-4-(4-methoxy-4-methylpiperidin-1-yl)-2-oxo-N-(2-pyrrolidin-1-ylethyl)-1H-1,7-naphthyridine-6-carboxamide?
The IUPAC name of 3-cyano-4-(4-methoxy-4-methylpiperidin-1-yl)-2-oxo-N-(2-pyrrolidin-1-ylethyl)-1H-1,7-naphthyridine-6-carboxamide (CID 138518224) is 3-cyano-4-(4-methoxy-4-methylpiperidin-1-yl)-2-oxo-N-(2-pyrrolidin-1-ylethyl)-1H-1,7-naphthyridine-6-carboxamide.
What is the SMILES notation for 3-cyano-4-(4-methoxy-4-methylpiperidin-1-yl)-2-oxo-N-(2-pyrrolidin-1-ylethyl)-1H-1,7-naphthyridine-6-carboxamide?
The canonical SMILES for 3-cyano-4-(4-methoxy-4-methylpiperidin-1-yl)-2-oxo-N-(2-pyrrolidin-1-ylethyl)-1H-1,7-naphthyridine-6-carboxamide is COC1(C)CCN(c2c(C#N)c(=O)[nH]c3cnc(C(=O)NCCN4CCCC4)cc23)CC1.
What is the InChIKey of 3-cyano-4-(4-methoxy-4-methylpiperidin-1-yl)-2-oxo-N-(2-pyrrolidin-1-ylethyl)-1H-1,7-naphthyridine-6-carboxamide?
The InChIKey is UVXZPQPDHOIADD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N6O3/c1-23(32-2)5-10-29(11-6-23)20-16-13-18(22(31)25-7-12-28-8-3-4-9-28)26-15-19(16)27-21(30)17(20)14-24/h13,15H,3-12H2,1-2H3,(H,25,31)(H,27,30).
What are the key properties of 3-cyano-4-(4-methoxy-4-methylpiperidin-1-yl)-2-oxo-N-(2-pyrrolidin-1-ylethyl)-1H-1,7-naphthyridine-6-carboxamide?
3-cyano-4-(4-methoxy-4-methylpiperidin-1-yl)-2-oxo-N-(2-pyrrolidin-1-ylethyl)-1H-1,7-naphthyridine-6-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 3-cyano-4-(4-methoxy-4-methylpiperidin-1-yl)-2-oxo-N-(2-pyrrolidin-1-ylethyl)-1H-1,7-naphthyridine-6-carboxamide is sourced from PubChem (CID 138518224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).