5-[3-[4-(2-cyano-5-methylphenyl)-5-methoxy-2-oxo-1-pyridinyl]-4-(1-methylpyrazol-3-yl)-2-oxobutyl]pyridine-2-carboxamide

C28H26N6O4 — CID 147481537

IUPAC5-[3-[4-(2-cyano-5-methylphenyl)-5-methoxy-2-oxo-1-pyridinyl]-4-(1-methylpyrazol-3-yl)-2-oxobutyl]pyridine-2-carboxamide
SMILESCOc1cn(C(Cc2ccn(C)n2)C(=O)Cc2ccc(C(N)=O)nc2)c(=O)cc1-c1cc(C)ccc1C#N
InChIInChI=1S/C28H26N6O4/c1-17-4-6-19(14-29)21(10-17)22-13-27(36)34(16-26(22)38-3)24(12-20-8-9-33(2)32-20)25(35)11-18-5-7-23(28(30)37)31-15-18/h4-10,13,15-16,24H,11-12H2,1-3H3,(H2,30,37)
InChIKeyFDTACUVIOUHDLG-UHFFFAOYSA-N
MW510.55 g/mol
LogP2.53
Rot. Bonds9

About 5-[3-[4-(2-cyano-5-methylphenyl)-5-methoxy-2-oxo-1-pyridinyl]-4-(1-methylpyrazol-3-yl)-2-oxobutyl]pyridine-2-carboxamide

5-[3-[4-(2-cyano-5-methylphenyl)-5-methoxy-2-oxo-1-pyridinyl]-4-(1-methylpyrazol-3-yl)-2-oxobutyl]pyridine-2-carboxamide (PubChem CID 147481537) has the molecular formula C28H26N6O4 and a molecular weight of 510.55 g/mol. Its IUPAC name is 5-[3-[4-(2-cyano-5-methylphenyl)-5-methoxy-2-oxo-1-pyridinyl]-4-(1-methylpyrazol-3-yl)-2-oxobutyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-[3-[4-(2-cyano-5-methylphenyl)-5-methoxy-2-oxo-1-pyridinyl]-4-(1-methylpyrazol-3-yl)-2-oxobutyl]pyridine-2-carboxamide
PubChem CID147481537
Molecular FormulaC28H26N6O4
Molecular Weight510.55 g/mol
Exact Mass510.20
IUPAC Name5-[3-[4-(2-cyano-5-methylphenyl)-5-methoxy-2-oxo-1-pyridinyl]-4-(1-methylpyrazol-3-yl)-2-oxobutyl]pyridine-2-carboxamide
SMILESCOc1cn(C(Cc2ccn(C)n2)C(=O)Cc2ccc(C(N)=O)nc2)c(=O)cc1-c1cc(C)ccc1C#N
InChIInChI=1S/C28H26N6O4/c1-17-4-6-19(14-29)21(10-17)22-13-27(36)34(16-26(22)38-3)24(12-20-8-9-33(2)32-20)25(35)11-18-5-7-23(28(30)37)31-15-18/h4-10,13,15-16,24H,11-12H2,1-3H3,(H2,30,37)
InChIKeyFDTACUVIOUHDLG-UHFFFAOYSA-N
XLogP2.53
TPSA145.89 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500510.55
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 5-[3-[4-(2-cyano-5-methylphenyl)-5-methoxy-2-oxo-1-pyridinyl]-4-(1-methylpyrazol-3-yl)-2-oxobutyl]pyridine-2-carboxamide?
The IUPAC name of 5-[3-[4-(2-cyano-5-methylphenyl)-5-methoxy-2-oxo-1-pyridinyl]-4-(1-methylpyrazol-3-yl)-2-oxobutyl]pyridine-2-carboxamide (CID 147481537) is 5-[3-[4-(2-cyano-5-methylphenyl)-5-methoxy-2-oxo-1-pyridinyl]-4-(1-methylpyrazol-3-yl)-2-oxobutyl]pyridine-2-carboxamide.
What is the SMILES notation for 5-[3-[4-(2-cyano-5-methylphenyl)-5-methoxy-2-oxo-1-pyridinyl]-4-(1-methylpyrazol-3-yl)-2-oxobutyl]pyridine-2-carboxamide?
The canonical SMILES for 5-[3-[4-(2-cyano-5-methylphenyl)-5-methoxy-2-oxo-1-pyridinyl]-4-(1-methylpyrazol-3-yl)-2-oxobutyl]pyridine-2-carboxamide is COc1cn(C(Cc2ccn(C)n2)C(=O)Cc2ccc(C(N)=O)nc2)c(=O)cc1-c1cc(C)ccc1C#N.
What is the InChIKey of 5-[3-[4-(2-cyano-5-methylphenyl)-5-methoxy-2-oxo-1-pyridinyl]-4-(1-methylpyrazol-3-yl)-2-oxobutyl]pyridine-2-carboxamide?
The InChIKey is FDTACUVIOUHDLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26N6O4/c1-17-4-6-19(14-29)21(10-17)22-13-27(36)34(16-26(22)38-3)24(12-20-8-9-33(2)32-20)25(35)11-18-5-7-23(28(30)37)31-15-18/h4-10,13,15-16,24H,11-12H2,1-3H3,(H2,30,37).
What are the key properties of 5-[3-[4-(2-cyano-5-methylphenyl)-5-methoxy-2-oxo-1-pyridinyl]-4-(1-methylpyrazol-3-yl)-2-oxobutyl]pyridine-2-carboxamide?
5-[3-[4-(2-cyano-5-methylphenyl)-5-methoxy-2-oxo-1-pyridinyl]-4-(1-methylpyrazol-3-yl)-2-oxobutyl]pyridine-2-carboxamide has a molecular weight of 510.55 g/mol, XLogP of 2.53, 9 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[4-(2-cyano-5-methylphenyl)-5-methoxy-2-oxo-1-pyridinyl]-4-(1-methylpyrazol-3-yl)-2-oxobutyl]pyridine-2-carboxamide is sourced from PubChem (CID 147481537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).