6-cyano-1-methyl-4-[4-[1-(2-methylphenyl)pyrazol-4-yl]piperidin-1-yl]-2-oxo-1,5-naphthyridine-3-carboxamide

C26H25N7O2 — CID 170291693

IUPAC6-cyano-1-methyl-4-[4-[1-(2-methylphenyl)pyrazol-4-yl]piperidin-1-yl]-2-oxo-1,5-naphthyridine-3-carboxamide
SMILESCc1ccccc1-n1cc(C2CCN(c3c(C(N)=O)c(=O)n(C)c4ccc(C#N)nc34)CC2)cn1
InChIInChI=1S/C26H25N7O2/c1-16-5-3-4-6-20(16)33-15-18(14-29-33)17-9-11-32(12-10-17)24-22(25(28)34)26(35)31(2)21-8-7-19(13-27)30-23(21)24/h3-8,14-15,17H,9-12H2,1-2H3,(H2,28,34)
InChIKeyDMZPUYLJNQPEPT-UHFFFAOYSA-N
MW467.53 g/mol
LogP2.78
Rot. Bonds4

About 6-cyano-1-methyl-4-[4-[1-(2-methylphenyl)pyrazol-4-yl]piperidin-1-yl]-2-oxo-1,5-naphthyridine-3-carboxamide

6-cyano-1-methyl-4-[4-[1-(2-methylphenyl)pyrazol-4-yl]piperidin-1-yl]-2-oxo-1,5-naphthyridine-3-carboxamide (PubChem CID 170291693) has the molecular formula C26H25N7O2 and a molecular weight of 467.53 g/mol. Its IUPAC name is 6-cyano-1-methyl-4-[4-[1-(2-methylphenyl)pyrazol-4-yl]piperidin-1-yl]-2-oxo-1,5-naphthyridine-3-carboxamide.

Molecular Properties

Compound Name6-cyano-1-methyl-4-[4-[1-(2-methylphenyl)pyrazol-4-yl]piperidin-1-yl]-2-oxo-1,5-naphthyridine-3-carboxamide
PubChem CID170291693
Molecular FormulaC26H25N7O2
Molecular Weight467.53 g/mol
Exact Mass467.21
IUPAC Name6-cyano-1-methyl-4-[4-[1-(2-methylphenyl)pyrazol-4-yl]piperidin-1-yl]-2-oxo-1,5-naphthyridine-3-carboxamide
SMILESCc1ccccc1-n1cc(C2CCN(c3c(C(N)=O)c(=O)n(C)c4ccc(C#N)nc34)CC2)cn1
InChIInChI=1S/C26H25N7O2/c1-16-5-3-4-6-20(16)33-15-18(14-29-33)17-9-11-32(12-10-17)24-22(25(28)34)26(35)31(2)21-8-7-19(13-27)30-23(21)24/h3-8,14-15,17H,9-12H2,1-2H3,(H2,28,34)
InChIKeyDMZPUYLJNQPEPT-UHFFFAOYSA-N
XLogP2.78
TPSA122.83 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.53
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-cyano-1-methyl-4-[4-[1-(2-methylphenyl)pyrazol-4-yl]piperidin-1-yl]-2-oxo-1,5-naphthyridine-3-carboxamide?
The IUPAC name of 6-cyano-1-methyl-4-[4-[1-(2-methylphenyl)pyrazol-4-yl]piperidin-1-yl]-2-oxo-1,5-naphthyridine-3-carboxamide (CID 170291693) is 6-cyano-1-methyl-4-[4-[1-(2-methylphenyl)pyrazol-4-yl]piperidin-1-yl]-2-oxo-1,5-naphthyridine-3-carboxamide.
What is the SMILES notation for 6-cyano-1-methyl-4-[4-[1-(2-methylphenyl)pyrazol-4-yl]piperidin-1-yl]-2-oxo-1,5-naphthyridine-3-carboxamide?
The canonical SMILES for 6-cyano-1-methyl-4-[4-[1-(2-methylphenyl)pyrazol-4-yl]piperidin-1-yl]-2-oxo-1,5-naphthyridine-3-carboxamide is Cc1ccccc1-n1cc(C2CCN(c3c(C(N)=O)c(=O)n(C)c4ccc(C#N)nc34)CC2)cn1.
What is the InChIKey of 6-cyano-1-methyl-4-[4-[1-(2-methylphenyl)pyrazol-4-yl]piperidin-1-yl]-2-oxo-1,5-naphthyridine-3-carboxamide?
The InChIKey is DMZPUYLJNQPEPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N7O2/c1-16-5-3-4-6-20(16)33-15-18(14-29-33)17-9-11-32(12-10-17)24-22(25(28)34)26(35)31(2)21-8-7-19(13-27)30-23(21)24/h3-8,14-15,17H,9-12H2,1-2H3,(H2,28,34).
What are the key properties of 6-cyano-1-methyl-4-[4-[1-(2-methylphenyl)pyrazol-4-yl]piperidin-1-yl]-2-oxo-1,5-naphthyridine-3-carboxamide?
6-cyano-1-methyl-4-[4-[1-(2-methylphenyl)pyrazol-4-yl]piperidin-1-yl]-2-oxo-1,5-naphthyridine-3-carboxamide has a molecular weight of 467.53 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyano-1-methyl-4-[4-[1-(2-methylphenyl)pyrazol-4-yl]piperidin-1-yl]-2-oxo-1,5-naphthyridine-3-carboxamide is sourced from PubChem (CID 170291693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).