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

C23H30N6O3 — CID 164708390

IUPAC7-cyano-8-(4-methoxy-4-methylpiperidin-1-yl)-N-(1-methylpiperidin-4-yl)-6-oxo-5H-1,5-naphthyridine-2-carboxamide
SMILESCOC1(C)CCN(c2c(C#N)c(=O)[nH]c3ccc(C(=O)NC4CCN(C)CC4)nc23)CC1
InChIInChI=1S/C23H30N6O3/c1-23(32-3)8-12-29(13-9-23)20-16(14-24)21(30)27-17-4-5-18(26-19(17)20)22(31)25-15-6-10-28(2)11-7-15/h4-5,15H,6-13H2,1-3H3,(H,25,31)(H,27,30)
InChIKeyATRZXCNMGFOHPP-UHFFFAOYSA-N
MW438.53 g/mol
LogP1.62
Rot. Bonds4

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

7-cyano-8-(4-methoxy-4-methylpiperidin-1-yl)-N-(1-methylpiperidin-4-yl)-6-oxo-5H-1,5-naphthyridine-2-carboxamide (PubChem CID 164708390) 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)-N-(1-methylpiperidin-4-yl)-6-oxo-5H-1,5-naphthyridine-2-carboxamide.

Molecular Properties

Compound Name7-cyano-8-(4-methoxy-4-methylpiperidin-1-yl)-N-(1-methylpiperidin-4-yl)-6-oxo-5H-1,5-naphthyridine-2-carboxamide
PubChem CID164708390
Molecular FormulaC23H30N6O3
Molecular Weight438.53 g/mol
Exact Mass438.24
IUPAC Name7-cyano-8-(4-methoxy-4-methylpiperidin-1-yl)-N-(1-methylpiperidin-4-yl)-6-oxo-5H-1,5-naphthyridine-2-carboxamide
SMILESCOC1(C)CCN(c2c(C#N)c(=O)[nH]c3ccc(C(=O)NC4CCN(C)CC4)nc23)CC1
InChIInChI=1S/C23H30N6O3/c1-23(32-3)8-12-29(13-9-23)20-16(14-24)21(30)27-17-4-5-18(26-19(17)20)22(31)25-15-6-10-28(2)11-7-15/h4-5,15H,6-13H2,1-3H3,(H,25,31)(H,27,30)
InChIKeyATRZXCNMGFOHPP-UHFFFAOYSA-N
XLogP1.62
TPSA114.35 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.53
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-cyano-8-(4-methoxy-4-methylpiperidin-1-yl)-N-(1-methylpiperidin-4-yl)-6-oxo-5H-1,5-naphthyridine-2-carboxamide?
The IUPAC name of 7-cyano-8-(4-methoxy-4-methylpiperidin-1-yl)-N-(1-methylpiperidin-4-yl)-6-oxo-5H-1,5-naphthyridine-2-carboxamide (CID 164708390) is 7-cyano-8-(4-methoxy-4-methylpiperidin-1-yl)-N-(1-methylpiperidin-4-yl)-6-oxo-5H-1,5-naphthyridine-2-carboxamide.
What is the SMILES notation for 7-cyano-8-(4-methoxy-4-methylpiperidin-1-yl)-N-(1-methylpiperidin-4-yl)-6-oxo-5H-1,5-naphthyridine-2-carboxamide?
The canonical SMILES for 7-cyano-8-(4-methoxy-4-methylpiperidin-1-yl)-N-(1-methylpiperidin-4-yl)-6-oxo-5H-1,5-naphthyridine-2-carboxamide is COC1(C)CCN(c2c(C#N)c(=O)[nH]c3ccc(C(=O)NC4CCN(C)CC4)nc23)CC1.
What is the InChIKey of 7-cyano-8-(4-methoxy-4-methylpiperidin-1-yl)-N-(1-methylpiperidin-4-yl)-6-oxo-5H-1,5-naphthyridine-2-carboxamide?
The InChIKey is ATRZXCNMGFOHPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N6O3/c1-23(32-3)8-12-29(13-9-23)20-16(14-24)21(30)27-17-4-5-18(26-19(17)20)22(31)25-15-6-10-28(2)11-7-15/h4-5,15H,6-13H2,1-3H3,(H,25,31)(H,27,30).
What are the key properties of 7-cyano-8-(4-methoxy-4-methylpiperidin-1-yl)-N-(1-methylpiperidin-4-yl)-6-oxo-5H-1,5-naphthyridine-2-carboxamide?
7-cyano-8-(4-methoxy-4-methylpiperidin-1-yl)-N-(1-methylpiperidin-4-yl)-6-oxo-5H-1,5-naphthyridine-2-carboxamide has a molecular weight of 438.53 g/mol, XLogP of 1.62, 4 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)-N-(1-methylpiperidin-4-yl)-6-oxo-5H-1,5-naphthyridine-2-carboxamide is sourced from PubChem (CID 164708390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).