5-[2-[4-(5-chloro-2-cyanophenyl)-5-methoxy-2-oxo-1-pyridinyl]butanoylamino]-N-methylpyridine-2-carboxamide

C24H22ClN5O4 — CID 121245921

IUPAC5-[2-[4-(5-chloro-2-cyanophenyl)-5-methoxy-2-oxo-1-pyridinyl]butanoylamino]-N-methylpyridine-2-carboxamide
SMILESCCC(C(=O)Nc1ccc(C(=O)NC)nc1)n1cc(OC)c(-c2cc(Cl)ccc2C#N)cc1=O
InChIInChI=1S/C24H22ClN5O4/c1-4-20(24(33)29-16-7-8-19(28-12-16)23(32)27-2)30-13-21(34-3)18(10-22(30)31)17-9-15(25)6-5-14(17)11-26/h5-10,12-13,20H,4H2,1-3H3,(H,27,32)(H,29,33)
InChIKeyYXDKGLDQIQLLTC-UHFFFAOYSA-N
MW479.92 g/mol
LogP3.39
Rot. Bonds7

About 5-[2-[4-(5-chloro-2-cyanophenyl)-5-methoxy-2-oxo-1-pyridinyl]butanoylamino]-N-methylpyridine-2-carboxamide

5-[2-[4-(5-chloro-2-cyanophenyl)-5-methoxy-2-oxo-1-pyridinyl]butanoylamino]-N-methylpyridine-2-carboxamide (PubChem CID 121245921) has the molecular formula C24H22ClN5O4 and a molecular weight of 479.92 g/mol. Its IUPAC name is 5-[2-[4-(5-chloro-2-cyanophenyl)-5-methoxy-2-oxo-1-pyridinyl]butanoylamino]-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name5-[2-[4-(5-chloro-2-cyanophenyl)-5-methoxy-2-oxo-1-pyridinyl]butanoylamino]-N-methylpyridine-2-carboxamide
PubChem CID121245921
Molecular FormulaC24H22ClN5O4
Molecular Weight479.92 g/mol
Exact Mass479.14
IUPAC Name5-[2-[4-(5-chloro-2-cyanophenyl)-5-methoxy-2-oxo-1-pyridinyl]butanoylamino]-N-methylpyridine-2-carboxamide
SMILESCCC(C(=O)Nc1ccc(C(=O)NC)nc1)n1cc(OC)c(-c2cc(Cl)ccc2C#N)cc1=O
InChIInChI=1S/C24H22ClN5O4/c1-4-20(24(33)29-16-7-8-19(28-12-16)23(32)27-2)30-13-21(34-3)18(10-22(30)31)17-9-15(25)6-5-14(17)11-26/h5-10,12-13,20H,4H2,1-3H3,(H,27,32)(H,29,33)
InChIKeyYXDKGLDQIQLLTC-UHFFFAOYSA-N
XLogP3.39
TPSA126.11 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.92
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[2-[4-(5-chloro-2-cyanophenyl)-5-methoxy-2-oxo-1-pyridinyl]butanoylamino]-N-methylpyridine-2-carboxamide?
The IUPAC name of 5-[2-[4-(5-chloro-2-cyanophenyl)-5-methoxy-2-oxo-1-pyridinyl]butanoylamino]-N-methylpyridine-2-carboxamide (CID 121245921) is 5-[2-[4-(5-chloro-2-cyanophenyl)-5-methoxy-2-oxo-1-pyridinyl]butanoylamino]-N-methylpyridine-2-carboxamide.
What is the SMILES notation for 5-[2-[4-(5-chloro-2-cyanophenyl)-5-methoxy-2-oxo-1-pyridinyl]butanoylamino]-N-methylpyridine-2-carboxamide?
The canonical SMILES for 5-[2-[4-(5-chloro-2-cyanophenyl)-5-methoxy-2-oxo-1-pyridinyl]butanoylamino]-N-methylpyridine-2-carboxamide is CCC(C(=O)Nc1ccc(C(=O)NC)nc1)n1cc(OC)c(-c2cc(Cl)ccc2C#N)cc1=O.
What is the InChIKey of 5-[2-[4-(5-chloro-2-cyanophenyl)-5-methoxy-2-oxo-1-pyridinyl]butanoylamino]-N-methylpyridine-2-carboxamide?
The InChIKey is YXDKGLDQIQLLTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22ClN5O4/c1-4-20(24(33)29-16-7-8-19(28-12-16)23(32)27-2)30-13-21(34-3)18(10-22(30)31)17-9-15(25)6-5-14(17)11-26/h5-10,12-13,20H,4H2,1-3H3,(H,27,32)(H,29,33).
What are the key properties of 5-[2-[4-(5-chloro-2-cyanophenyl)-5-methoxy-2-oxo-1-pyridinyl]butanoylamino]-N-methylpyridine-2-carboxamide?
5-[2-[4-(5-chloro-2-cyanophenyl)-5-methoxy-2-oxo-1-pyridinyl]butanoylamino]-N-methylpyridine-2-carboxamide has a molecular weight of 479.92 g/mol, XLogP of 3.39, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[4-(5-chloro-2-cyanophenyl)-5-methoxy-2-oxo-1-pyridinyl]butanoylamino]-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 121245921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).