4-anilino-N-butan-2-ylpyridine-2-carboxamide

C16H19N3O — CID 109203318

IUPAC4-anilino-N-butan-2-ylpyridine-2-carboxamide
SMILESCCC(C)NC(=O)c1cc(Nc2ccccc2)ccn1
InChIInChI=1S/C16H19N3O/c1-3-12(2)18-16(20)15-11-14(9-10-17-15)19-13-7-5-4-6-8-13/h4-12H,3H2,1-2H3,(H,17,19)(H,18,20)
InChIKeyOZPCKGSXJDREGY-UHFFFAOYSA-N
MW269.35 g/mol
LogP3.35
Rot. Bonds5

About 4-anilino-N-butan-2-ylpyridine-2-carboxamide

4-anilino-N-butan-2-ylpyridine-2-carboxamide (PubChem CID 109203318) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is 4-anilino-N-butan-2-ylpyridine-2-carboxamide.

Molecular Properties

Compound Name4-anilino-N-butan-2-ylpyridine-2-carboxamide
PubChem CID109203318
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC Name4-anilino-N-butan-2-ylpyridine-2-carboxamide
SMILESCCC(C)NC(=O)c1cc(Nc2ccccc2)ccn1
InChIInChI=1S/C16H19N3O/c1-3-12(2)18-16(20)15-11-14(9-10-17-15)19-13-7-5-4-6-8-13/h4-12H,3H2,1-2H3,(H,17,19)(H,18,20)
InChIKeyOZPCKGSXJDREGY-UHFFFAOYSA-N
XLogP3.35
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-butan-2-yl-4-(4-propan-2-ylanilino)pyridine-2-carboxamide
CID 109203336
N-butan-2-yl-4-(4-methoxyanilino)pyridine-2-carboxamide
CID 109203359
N-butan-2-yl-4-[3-(trifluoromethyl)anilino]pyridine-2-carboxamide
CID 109203369
N-butan-2-yl-4-(ethylamino)pyridine-2-carboxamide
CID 62171647
N-butan-2-yl-4-(2-tert-butylanilino)pyridine-2-carboxamide
CID 109203340
N-butan-2-yl-4-(2-phenylethylamino)pyridine-2-carboxamide
CID 109203268
N-butan-2-yl-4-(4-piperidin-1-ylanilino)pyridine-2-carboxamide
CID 109203383
4-(butan-2-ylamino)-N-phenylpyridine-2-carboxamide
CID 109203508
4-(butan-2-ylamino)-N-(1-phenylethyl)pyridine-2-carboxamide
CID 109203446
N-butan-2-yl-4-(2,3,4-trifluoroanilino)pyridine-2-carboxamide
CID 109203420
N-butan-2-yl-4-(2,4-dichloroanilino)pyridine-2-carboxamide
CID 109203407
N-butan-2-yl-4-(butylamino)pyridine-2-carboxamide
CID 109202657

Frequently Asked Questions

What is the IUPAC name of 4-anilino-N-butan-2-ylpyridine-2-carboxamide?
The IUPAC name of 4-anilino-N-butan-2-ylpyridine-2-carboxamide (CID 109203318) is 4-anilino-N-butan-2-ylpyridine-2-carboxamide.
What is the SMILES notation for 4-anilino-N-butan-2-ylpyridine-2-carboxamide?
The canonical SMILES for 4-anilino-N-butan-2-ylpyridine-2-carboxamide is CCC(C)NC(=O)c1cc(Nc2ccccc2)ccn1.
What is the InChIKey of 4-anilino-N-butan-2-ylpyridine-2-carboxamide?
The InChIKey is OZPCKGSXJDREGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O/c1-3-12(2)18-16(20)15-11-14(9-10-17-15)19-13-7-5-4-6-8-13/h4-12H,3H2,1-2H3,(H,17,19)(H,18,20).
What are the key properties of 4-anilino-N-butan-2-ylpyridine-2-carboxamide?
4-anilino-N-butan-2-ylpyridine-2-carboxamide has a molecular weight of 269.35 g/mol, XLogP of 3.35, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-anilino-N-butan-2-ylpyridine-2-carboxamide is sourced from PubChem (CID 109203318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).