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

C23H20ClN5O4 — CID 121245920

IUPAC5-[2-[4-(5-chloro-2-cyanophenyl)-5-methoxy-2-oxo-1-pyridinyl]butanoylamino]pyridine-2-carboxamide
SMILESCCC(C(=O)Nc1ccc(C(N)=O)nc1)n1cc(OC)c(-c2cc(Cl)ccc2C#N)cc1=O
InChIInChI=1S/C23H20ClN5O4/c1-3-19(23(32)28-15-6-7-18(22(26)31)27-11-15)29-12-20(33-2)17(9-21(29)30)16-8-14(24)5-4-13(16)10-25/h4-9,11-12,19H,3H2,1-2H3,(H2,26,31)(H,28,32)
InChIKeyCCUTZQKCVDSOQQ-UHFFFAOYSA-N
MW465.90 g/mol
LogP3.13
Rot. Bonds7

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

5-[2-[4-(5-chloro-2-cyanophenyl)-5-methoxy-2-oxo-1-pyridinyl]butanoylamino]pyridine-2-carboxamide (PubChem CID 121245920) has the molecular formula C23H20ClN5O4 and a molecular weight of 465.90 g/mol. Its IUPAC name is 5-[2-[4-(5-chloro-2-cyanophenyl)-5-methoxy-2-oxo-1-pyridinyl]butanoylamino]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-[2-[4-(5-chloro-2-cyanophenyl)-5-methoxy-2-oxo-1-pyridinyl]butanoylamino]pyridine-2-carboxamide
PubChem CID121245920
Molecular FormulaC23H20ClN5O4
Molecular Weight465.90 g/mol
Exact Mass465.12
IUPAC Name5-[2-[4-(5-chloro-2-cyanophenyl)-5-methoxy-2-oxo-1-pyridinyl]butanoylamino]pyridine-2-carboxamide
SMILESCCC(C(=O)Nc1ccc(C(N)=O)nc1)n1cc(OC)c(-c2cc(Cl)ccc2C#N)cc1=O
InChIInChI=1S/C23H20ClN5O4/c1-3-19(23(32)28-15-6-7-18(22(26)31)27-11-15)29-12-20(33-2)17(9-21(29)30)16-8-14(24)5-4-13(16)10-25/h4-9,11-12,19H,3H2,1-2H3,(H2,26,31)(H,28,32)
InChIKeyCCUTZQKCVDSOQQ-UHFFFAOYSA-N
XLogP3.13
TPSA140.10 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.90
LogP ≤ 53.13
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]pyridine-2-carboxamide?
The IUPAC name of 5-[2-[4-(5-chloro-2-cyanophenyl)-5-methoxy-2-oxo-1-pyridinyl]butanoylamino]pyridine-2-carboxamide (CID 121245920) is 5-[2-[4-(5-chloro-2-cyanophenyl)-5-methoxy-2-oxo-1-pyridinyl]butanoylamino]pyridine-2-carboxamide.
What is the SMILES notation for 5-[2-[4-(5-chloro-2-cyanophenyl)-5-methoxy-2-oxo-1-pyridinyl]butanoylamino]pyridine-2-carboxamide?
The canonical SMILES for 5-[2-[4-(5-chloro-2-cyanophenyl)-5-methoxy-2-oxo-1-pyridinyl]butanoylamino]pyridine-2-carboxamide is CCC(C(=O)Nc1ccc(C(N)=O)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]pyridine-2-carboxamide?
The InChIKey is CCUTZQKCVDSOQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClN5O4/c1-3-19(23(32)28-15-6-7-18(22(26)31)27-11-15)29-12-20(33-2)17(9-21(29)30)16-8-14(24)5-4-13(16)10-25/h4-9,11-12,19H,3H2,1-2H3,(H2,26,31)(H,28,32).
What are the key properties of 5-[2-[4-(5-chloro-2-cyanophenyl)-5-methoxy-2-oxo-1-pyridinyl]butanoylamino]pyridine-2-carboxamide?
5-[2-[4-(5-chloro-2-cyanophenyl)-5-methoxy-2-oxo-1-pyridinyl]butanoylamino]pyridine-2-carboxamide has a molecular weight of 465.90 g/mol, XLogP of 3.13, 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]pyridine-2-carboxamide is sourced from PubChem (CID 121245920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).