3-[4-(4-chlorophenyl)-3-pyridinyl]-2-(2-methylpropanoylamino)pyridine-4-carboxamide

C21H19ClN4O2 — CID 142796534

IUPAC3-[4-(4-chlorophenyl)-3-pyridinyl]-2-(2-methylpropanoylamino)pyridine-4-carboxamide
SMILESCC(C)C(=O)Nc1nccc(C(N)=O)c1-c1cnccc1-c1ccc(Cl)cc1
InChIInChI=1S/C21H19ClN4O2/c1-12(2)21(28)26-20-18(16(19(23)27)8-10-25-20)17-11-24-9-7-15(17)13-3-5-14(22)6-4-13/h3-12H,1-2H3,(H2,23,27)(H,25,26,28)
InChIKeyGQBKSJOHTNIRHJ-UHFFFAOYSA-N
MW394.86 g/mol
LogP4.16
Rot. Bonds5

About 3-[4-(4-chlorophenyl)-3-pyridinyl]-2-(2-methylpropanoylamino)pyridine-4-carboxamide

3-[4-(4-chlorophenyl)-3-pyridinyl]-2-(2-methylpropanoylamino)pyridine-4-carboxamide (PubChem CID 142796534) has the molecular formula C21H19ClN4O2 and a molecular weight of 394.86 g/mol. Its IUPAC name is 3-[4-(4-chlorophenyl)-3-pyridinyl]-2-(2-methylpropanoylamino)pyridine-4-carboxamide.

Molecular Properties

Compound Name3-[4-(4-chlorophenyl)-3-pyridinyl]-2-(2-methylpropanoylamino)pyridine-4-carboxamide
PubChem CID142796534
Molecular FormulaC21H19ClN4O2
Molecular Weight394.86 g/mol
Exact Mass394.12
IUPAC Name3-[4-(4-chlorophenyl)-3-pyridinyl]-2-(2-methylpropanoylamino)pyridine-4-carboxamide
SMILESCC(C)C(=O)Nc1nccc(C(N)=O)c1-c1cnccc1-c1ccc(Cl)cc1
InChIInChI=1S/C21H19ClN4O2/c1-12(2)21(28)26-20-18(16(19(23)27)8-10-25-20)17-11-24-9-7-15(17)13-3-5-14(22)6-4-13/h3-12H,1-2H3,(H2,23,27)(H,25,26,28)
InChIKeyGQBKSJOHTNIRHJ-UHFFFAOYSA-N
XLogP4.16
TPSA97.97 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.86
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-chlorophenyl)-3-pyridinyl]-2-(2-methylpropanoylamino)pyridine-4-carboxamide?
The IUPAC name of 3-[4-(4-chlorophenyl)-3-pyridinyl]-2-(2-methylpropanoylamino)pyridine-4-carboxamide (CID 142796534) is 3-[4-(4-chlorophenyl)-3-pyridinyl]-2-(2-methylpropanoylamino)pyridine-4-carboxamide.
What is the SMILES notation for 3-[4-(4-chlorophenyl)-3-pyridinyl]-2-(2-methylpropanoylamino)pyridine-4-carboxamide?
The canonical SMILES for 3-[4-(4-chlorophenyl)-3-pyridinyl]-2-(2-methylpropanoylamino)pyridine-4-carboxamide is CC(C)C(=O)Nc1nccc(C(N)=O)c1-c1cnccc1-c1ccc(Cl)cc1.
What is the InChIKey of 3-[4-(4-chlorophenyl)-3-pyridinyl]-2-(2-methylpropanoylamino)pyridine-4-carboxamide?
The InChIKey is GQBKSJOHTNIRHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClN4O2/c1-12(2)21(28)26-20-18(16(19(23)27)8-10-25-20)17-11-24-9-7-15(17)13-3-5-14(22)6-4-13/h3-12H,1-2H3,(H2,23,27)(H,25,26,28).
What are the key properties of 3-[4-(4-chlorophenyl)-3-pyridinyl]-2-(2-methylpropanoylamino)pyridine-4-carboxamide?
3-[4-(4-chlorophenyl)-3-pyridinyl]-2-(2-methylpropanoylamino)pyridine-4-carboxamide has a molecular weight of 394.86 g/mol, XLogP of 4.16, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4-chlorophenyl)-3-pyridinyl]-2-(2-methylpropanoylamino)pyridine-4-carboxamide is sourced from PubChem (CID 142796534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).