5-(3-cyanoanilino)-N-propan-2-ylpyridine-3-carboxamide

C16H16N4O — CID 109223348

IUPAC5-(3-cyanoanilino)-N-propan-2-ylpyridine-3-carboxamide
SMILESCC(C)NC(=O)c1cncc(Nc2cccc(C#N)c2)c1
InChIInChI=1S/C16H16N4O/c1-11(2)19-16(21)13-7-15(10-18-9-13)20-14-5-3-4-12(6-14)8-17/h3-7,9-11,20H,1-2H3,(H,19,21)
InChIKeyBBUSVWVRQYFUKZ-UHFFFAOYSA-N
MW280.33 g/mol
LogP2.84
Rot. Bonds4

About 5-(3-cyanoanilino)-N-propan-2-ylpyridine-3-carboxamide

5-(3-cyanoanilino)-N-propan-2-ylpyridine-3-carboxamide (PubChem CID 109223348) has the molecular formula C16H16N4O and a molecular weight of 280.33 g/mol. Its IUPAC name is 5-(3-cyanoanilino)-N-propan-2-ylpyridine-3-carboxamide.

Molecular Properties

Compound Name5-(3-cyanoanilino)-N-propan-2-ylpyridine-3-carboxamide
PubChem CID109223348
Molecular FormulaC16H16N4O
Molecular Weight280.33 g/mol
Exact Mass280.13
IUPAC Name5-(3-cyanoanilino)-N-propan-2-ylpyridine-3-carboxamide
SMILESCC(C)NC(=O)c1cncc(Nc2cccc(C#N)c2)c1
InChIInChI=1S/C16H16N4O/c1-11(2)19-16(21)13-7-15(10-18-9-13)20-14-5-3-4-12(6-14)8-17/h3-7,9-11,20H,1-2H3,(H,19,21)
InChIKeyBBUSVWVRQYFUKZ-UHFFFAOYSA-N
XLogP2.84
TPSA77.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-acetamidophenyl)-5-(3-cyanoanilino)pyridine-3-carboxamide
CID 109245862
N-(3-acetylphenyl)-5-(3-cyanoanilino)pyridine-3-carboxamide
CID 109245786
5-(3-acetamidoanilino)-N-(3-cyanophenyl)pyridine-3-carboxamide
CID 109245875
5-(3-cyanoanilino)-N-(2,4,6-trimethylphenyl)pyridine-3-carboxamide
CID 109243920
5-(3-cyanoanilino)-N-(4-ethylphenyl)pyridine-3-carboxamide
CID 109243485
N-butan-2-yl-5-(4-cyanoanilino)pyridine-3-carboxamide
CID 109225300
5-(3-cyanoanilino)-N-[(4-fluorophenyl)methyl]pyridine-3-carboxamide
CID 109233652
N-(3-cyanophenyl)-5-(2-methylpropylamino)pyridine-3-carboxamide
CID 109225107
N-[(2-chlorophenyl)methyl]-5-(3-cyanoanilino)pyridine-3-carboxamide
CID 109233871
3-[(5-methyl-3-pyridinyl)amino]benzonitrile
CID 71051336
5-(4-bromo-3-methylanilino)-N-propan-2-ylpyridine-3-carboxamide
CID 109223324
methyl 3-[[5-(4-cyanoanilino)pyridine-3-carbonyl]amino]benzoate
CID 109245941

Frequently Asked Questions

What is the IUPAC name of 5-(3-cyanoanilino)-N-propan-2-ylpyridine-3-carboxamide?
The IUPAC name of 5-(3-cyanoanilino)-N-propan-2-ylpyridine-3-carboxamide (CID 109223348) is 5-(3-cyanoanilino)-N-propan-2-ylpyridine-3-carboxamide.
What is the SMILES notation for 5-(3-cyanoanilino)-N-propan-2-ylpyridine-3-carboxamide?
The canonical SMILES for 5-(3-cyanoanilino)-N-propan-2-ylpyridine-3-carboxamide is CC(C)NC(=O)c1cncc(Nc2cccc(C#N)c2)c1.
What is the InChIKey of 5-(3-cyanoanilino)-N-propan-2-ylpyridine-3-carboxamide?
The InChIKey is BBUSVWVRQYFUKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O/c1-11(2)19-16(21)13-7-15(10-18-9-13)20-14-5-3-4-12(6-14)8-17/h3-7,9-11,20H,1-2H3,(H,19,21).
What are the key properties of 5-(3-cyanoanilino)-N-propan-2-ylpyridine-3-carboxamide?
5-(3-cyanoanilino)-N-propan-2-ylpyridine-3-carboxamide has a molecular weight of 280.33 g/mol, XLogP of 2.84, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-cyanoanilino)-N-propan-2-ylpyridine-3-carboxamide is sourced from PubChem (CID 109223348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).