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

C18H21N5O3 — CID 164708406

IUPAC7-cyano-8-(4-methoxy-4-methylpiperidin-1-yl)-N-methyl-6-oxo-5H-1,5-naphthyridine-2-carboxamide
SMILESCNC(=O)c1ccc2[nH]c(=O)c(C#N)c(N3CCC(C)(OC)CC3)c2n1
InChIInChI=1S/C18H21N5O3/c1-18(26-3)6-8-23(9-7-18)15-11(10-19)16(24)22-12-4-5-13(17(25)20-2)21-14(12)15/h4-5H,6-9H2,1-3H3,(H,20,25)(H,22,24)
InChIKeyRDXFYAIXCZWCEW-UHFFFAOYSA-N
MW355.40 g/mol
LogP1.16
Rot. Bonds3

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

7-cyano-8-(4-methoxy-4-methylpiperidin-1-yl)-N-methyl-6-oxo-5H-1,5-naphthyridine-2-carboxamide (PubChem CID 164708406) has the molecular formula C18H21N5O3 and a molecular weight of 355.40 g/mol. Its IUPAC name is 7-cyano-8-(4-methoxy-4-methylpiperidin-1-yl)-N-methyl-6-oxo-5H-1,5-naphthyridine-2-carboxamide.

Molecular Properties

Compound Name7-cyano-8-(4-methoxy-4-methylpiperidin-1-yl)-N-methyl-6-oxo-5H-1,5-naphthyridine-2-carboxamide
PubChem CID164708406
Molecular FormulaC18H21N5O3
Molecular Weight355.40 g/mol
Exact Mass355.16
IUPAC Name7-cyano-8-(4-methoxy-4-methylpiperidin-1-yl)-N-methyl-6-oxo-5H-1,5-naphthyridine-2-carboxamide
SMILESCNC(=O)c1ccc2[nH]c(=O)c(C#N)c(N3CCC(C)(OC)CC3)c2n1
InChIInChI=1S/C18H21N5O3/c1-18(26-3)6-8-23(9-7-18)15-11(10-19)16(24)22-12-4-5-13(17(25)20-2)21-14(12)15/h4-5H,6-9H2,1-3H3,(H,20,25)(H,22,24)
InChIKeyRDXFYAIXCZWCEW-UHFFFAOYSA-N
XLogP1.16
TPSA111.11 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.40
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-cyano-8-(4-methoxy-4-methylpiperidin-1-yl)-N-methyl-6-oxo-5H-1,5-naphthyridine-2-carboxamide?
The IUPAC name of 7-cyano-8-(4-methoxy-4-methylpiperidin-1-yl)-N-methyl-6-oxo-5H-1,5-naphthyridine-2-carboxamide (CID 164708406) is 7-cyano-8-(4-methoxy-4-methylpiperidin-1-yl)-N-methyl-6-oxo-5H-1,5-naphthyridine-2-carboxamide.
What is the SMILES notation for 7-cyano-8-(4-methoxy-4-methylpiperidin-1-yl)-N-methyl-6-oxo-5H-1,5-naphthyridine-2-carboxamide?
The canonical SMILES for 7-cyano-8-(4-methoxy-4-methylpiperidin-1-yl)-N-methyl-6-oxo-5H-1,5-naphthyridine-2-carboxamide is CNC(=O)c1ccc2[nH]c(=O)c(C#N)c(N3CCC(C)(OC)CC3)c2n1.
What is the InChIKey of 7-cyano-8-(4-methoxy-4-methylpiperidin-1-yl)-N-methyl-6-oxo-5H-1,5-naphthyridine-2-carboxamide?
The InChIKey is RDXFYAIXCZWCEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O3/c1-18(26-3)6-8-23(9-7-18)15-11(10-19)16(24)22-12-4-5-13(17(25)20-2)21-14(12)15/h4-5H,6-9H2,1-3H3,(H,20,25)(H,22,24).
What are the key properties of 7-cyano-8-(4-methoxy-4-methylpiperidin-1-yl)-N-methyl-6-oxo-5H-1,5-naphthyridine-2-carboxamide?
7-cyano-8-(4-methoxy-4-methylpiperidin-1-yl)-N-methyl-6-oxo-5H-1,5-naphthyridine-2-carboxamide has a molecular weight of 355.40 g/mol, XLogP of 1.16, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-cyano-8-(4-methoxy-4-methylpiperidin-1-yl)-N-methyl-6-oxo-5H-1,5-naphthyridine-2-carboxamide is sourced from PubChem (CID 164708406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).