4-cyano-N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-1,5-dimethylpyrrole-2-carboxamide

C25H23N5O2 — CID 24953829

IUPAC4-cyano-N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-1,5-dimethylpyrrole-2-carboxamide
SMILESCc1cc2c(cn1)cc(-c1cc(NC(=O)c3cc(C#N)c(C)n3C)ccc1C)c(=O)n2C
InChIInChI=1S/C25H23N5O2/c1-14-6-7-19(28-24(31)23-10-17(12-26)16(3)29(23)4)11-20(14)21-9-18-13-27-15(2)8-22(18)30(5)25(21)32/h6-11,13H,1-5H3,(H,28,31)
InChIKeyRCQDDPRPYFFTJN-UHFFFAOYSA-N
MW425.49 g/mol
LogP3.99
Rot. Bonds3

About 4-cyano-N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-1,5-dimethylpyrrole-2-carboxamide

4-cyano-N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-1,5-dimethylpyrrole-2-carboxamide (PubChem CID 24953829) has the molecular formula C25H23N5O2 and a molecular weight of 425.49 g/mol. Its IUPAC name is 4-cyano-N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-1,5-dimethylpyrrole-2-carboxamide.

Molecular Properties

Compound Name4-cyano-N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-1,5-dimethylpyrrole-2-carboxamide
PubChem CID24953829
Molecular FormulaC25H23N5O2
Molecular Weight425.49 g/mol
Exact Mass425.19
IUPAC Name4-cyano-N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-1,5-dimethylpyrrole-2-carboxamide
SMILESCc1cc2c(cn1)cc(-c1cc(NC(=O)c3cc(C#N)c(C)n3C)ccc1C)c(=O)n2C
InChIInChI=1S/C25H23N5O2/c1-14-6-7-19(28-24(31)23-10-17(12-26)16(3)29(23)4)11-20(14)21-9-18-13-27-15(2)8-22(18)30(5)25(21)32/h6-11,13H,1-5H3,(H,28,31)
InChIKeyRCQDDPRPYFFTJN-UHFFFAOYSA-N
XLogP3.99
TPSA92.71 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.49
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-1,5-dimethylpyrrole-2-carboxamide?
The IUPAC name of 4-cyano-N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-1,5-dimethylpyrrole-2-carboxamide (CID 24953829) is 4-cyano-N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-1,5-dimethylpyrrole-2-carboxamide.
What is the SMILES notation for 4-cyano-N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-1,5-dimethylpyrrole-2-carboxamide?
The canonical SMILES for 4-cyano-N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-1,5-dimethylpyrrole-2-carboxamide is Cc1cc2c(cn1)cc(-c1cc(NC(=O)c3cc(C#N)c(C)n3C)ccc1C)c(=O)n2C.
What is the InChIKey of 4-cyano-N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-1,5-dimethylpyrrole-2-carboxamide?
The InChIKey is RCQDDPRPYFFTJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N5O2/c1-14-6-7-19(28-24(31)23-10-17(12-26)16(3)29(23)4)11-20(14)21-9-18-13-27-15(2)8-22(18)30(5)25(21)32/h6-11,13H,1-5H3,(H,28,31).
What are the key properties of 4-cyano-N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-1,5-dimethylpyrrole-2-carboxamide?
4-cyano-N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-1,5-dimethylpyrrole-2-carboxamide has a molecular weight of 425.49 g/mol, XLogP of 3.99, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-1,5-dimethylpyrrole-2-carboxamide is sourced from PubChem (CID 24953829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).