4-(2,3-dichloroanilino)-N-propan-2-ylpyridine-2-carboxamide

C15H15Cl2N3O — CID 109201470

IUPAC4-(2,3-dichloroanilino)-N-propan-2-ylpyridine-2-carboxamide
SMILESCC(C)NC(=O)c1cc(Nc2cccc(Cl)c2Cl)ccn1
InChIInChI=1S/C15H15Cl2N3O/c1-9(2)19-15(21)13-8-10(6-7-18-13)20-12-5-3-4-11(16)14(12)17/h3-9H,1-2H3,(H,18,20)(H,19,21)
InChIKeyOHVUAGCLVUWXNM-UHFFFAOYSA-N
MW324.21 g/mol
LogP4.27
Rot. Bonds4

About 4-(2,3-dichloroanilino)-N-propan-2-ylpyridine-2-carboxamide

4-(2,3-dichloroanilino)-N-propan-2-ylpyridine-2-carboxamide (PubChem CID 109201470) has the molecular formula C15H15Cl2N3O and a molecular weight of 324.21 g/mol. Its IUPAC name is 4-(2,3-dichloroanilino)-N-propan-2-ylpyridine-2-carboxamide.

Molecular Properties

Compound Name4-(2,3-dichloroanilino)-N-propan-2-ylpyridine-2-carboxamide
PubChem CID109201470
Molecular FormulaC15H15Cl2N3O
Molecular Weight324.21 g/mol
Exact Mass323.06
IUPAC Name4-(2,3-dichloroanilino)-N-propan-2-ylpyridine-2-carboxamide
SMILESCC(C)NC(=O)c1cc(Nc2cccc(Cl)c2Cl)ccn1
InChIInChI=1S/C15H15Cl2N3O/c1-9(2)19-15(21)13-8-10(6-7-18-13)20-12-5-3-4-11(16)14(12)17/h3-9H,1-2H3,(H,18,20)(H,19,21)
InChIKeyOHVUAGCLVUWXNM-UHFFFAOYSA-N
XLogP4.27
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.21
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-propan-2-yl-4-(quinolin-8-ylamino)pyridine-2-carboxamide
CID 109201456
N-(2-cyanophenyl)-4-(2,3-dichloroanilino)pyridine-2-carboxamide
CID 109222663
4-(2,3-dichloroanilino)-N-methyl-N-phenylpyridine-2-carboxamide
CID 109219411
methyl 3-[[2-(propan-2-ylcarbamoyl)-4-pyridinyl]amino]benzoate
CID 109201433
4-(3-acetamidoanilino)-N-(2-chlorophenyl)pyridine-2-carboxamide
CID 109220873
4-(2-methoxy-5-methylanilino)-N-propan-2-ylpyridine-2-carboxamide
CID 109201419
4-(4-cyanoanilino)-N-(2,3-dichlorophenyl)pyridine-2-carboxamide
CID 109222661
4-(cyclohexylamino)-N-(2,3-dichlorophenyl)pyridine-2-carboxamide
CID 109205054
N-(2,6-dichlorophenyl)-4-(2-fluoroanilino)pyridine-2-carboxamide
CID 109220710
N-propan-2-yl-4-(4-pyrrolidin-1-ylanilino)pyridine-2-carboxamide
CID 109201439
N-butan-2-yl-4-(2,4-dichloroanilino)pyridine-2-carboxamide
CID 109203407
6-(2-chloroanilino)-N-propan-2-ylpyrimidine-4-carboxamide
CID 109338941

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dichloroanilino)-N-propan-2-ylpyridine-2-carboxamide?
The IUPAC name of 4-(2,3-dichloroanilino)-N-propan-2-ylpyridine-2-carboxamide (CID 109201470) is 4-(2,3-dichloroanilino)-N-propan-2-ylpyridine-2-carboxamide.
What is the SMILES notation for 4-(2,3-dichloroanilino)-N-propan-2-ylpyridine-2-carboxamide?
The canonical SMILES for 4-(2,3-dichloroanilino)-N-propan-2-ylpyridine-2-carboxamide is CC(C)NC(=O)c1cc(Nc2cccc(Cl)c2Cl)ccn1.
What is the InChIKey of 4-(2,3-dichloroanilino)-N-propan-2-ylpyridine-2-carboxamide?
The InChIKey is OHVUAGCLVUWXNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Cl2N3O/c1-9(2)19-15(21)13-8-10(6-7-18-13)20-12-5-3-4-11(16)14(12)17/h3-9H,1-2H3,(H,18,20)(H,19,21).
What are the key properties of 4-(2,3-dichloroanilino)-N-propan-2-ylpyridine-2-carboxamide?
4-(2,3-dichloroanilino)-N-propan-2-ylpyridine-2-carboxamide has a molecular weight of 324.21 g/mol, XLogP of 4.27, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dichloroanilino)-N-propan-2-ylpyridine-2-carboxamide is sourced from PubChem (CID 109201470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).