3-[(6-cyano-3-pyridinyl)amino]butanamide

C10H12N4O — CID 115685029

IUPAC3-[(6-cyano-3-pyridinyl)amino]butanamide
SMILESCC(CC(N)=O)Nc1ccc(C#N)nc1
InChIInChI=1S/C10H12N4O/c1-7(4-10(12)15)14-9-3-2-8(5-11)13-6-9/h2-3,6-7,14H,4H2,1H3,(H2,12,15)
InChIKeyOUQXQAHVCJBEFV-UHFFFAOYSA-N
MW204.23 g/mol
LogP0.63
Rot. Bonds4

About 3-[(6-cyano-3-pyridinyl)amino]butanamide

3-[(6-cyano-3-pyridinyl)amino]butanamide (PubChem CID 115685029) has the molecular formula C10H12N4O and a molecular weight of 204.23 g/mol. Its IUPAC name is 3-[(6-cyano-3-pyridinyl)amino]butanamide.

Molecular Properties

Compound Name3-[(6-cyano-3-pyridinyl)amino]butanamide
PubChem CID115685029
Molecular FormulaC10H12N4O
Molecular Weight204.23 g/mol
Exact Mass204.10
IUPAC Name3-[(6-cyano-3-pyridinyl)amino]butanamide
SMILESCC(CC(N)=O)Nc1ccc(C#N)nc1
InChIInChI=1S/C10H12N4O/c1-7(4-10(12)15)14-9-3-2-8(5-11)13-6-9/h2-3,6-7,14H,4H2,1H3,(H2,12,15)
InChIKeyOUQXQAHVCJBEFV-UHFFFAOYSA-N
XLogP0.63
TPSA91.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-[(6-cyano-3-pyridinyl)amino]butanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[(6-cyano-3-pyridinyl)amino]pentanoic acid
CID 115487300
5-(butan-2-ylamino)pyridine-2-carbonitrile
CID 79839653
3-[(6-fluoro-3-pyridinyl)amino]butanamide
CID 126988107
5-[1-(diethylamino)propan-2-ylamino]pyridine-2-carbonitrile
CID 79839031
5-(heptan-2-ylamino)pyridine-2-carbonitrile
CID 115487559
5-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]pyridine-2-carbonitrile
CID 79839810
N-(6-cyano-3-pyridinyl)acetamide
CID 59578592
(3R)-5-[(6-cyano-3-pyridinyl)amino]-3-methyl-5-oxopentanoic acid
CID 129392453
5-(hept-6-en-2-ylamino)pyridine-2-carbonitrile
CID 133436130
3-[3-cyano-4-(trifluoromethyl)anilino]butanamide
CID 104843918
5-(2,2,3-trimethylbutylamino)pyridine-2-carbonitrile
CID 102609041
5-[(3-hydroxy-2-methylpropyl)amino]pyridine-2-carbonitrile
CID 79839884

Frequently Asked Questions

What is the IUPAC name of 3-[(6-cyano-3-pyridinyl)amino]butanamide?
The IUPAC name of 3-[(6-cyano-3-pyridinyl)amino]butanamide (CID 115685029) is 3-[(6-cyano-3-pyridinyl)amino]butanamide.
What is the SMILES notation for 3-[(6-cyano-3-pyridinyl)amino]butanamide?
The canonical SMILES for 3-[(6-cyano-3-pyridinyl)amino]butanamide is CC(CC(N)=O)Nc1ccc(C#N)nc1.
What is the InChIKey of 3-[(6-cyano-3-pyridinyl)amino]butanamide?
The InChIKey is OUQXQAHVCJBEFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O/c1-7(4-10(12)15)14-9-3-2-8(5-11)13-6-9/h2-3,6-7,14H,4H2,1H3,(H2,12,15).
What are the key properties of 3-[(6-cyano-3-pyridinyl)amino]butanamide?
3-[(6-cyano-3-pyridinyl)amino]butanamide has a molecular weight of 204.23 g/mol, XLogP of 0.63, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-cyano-3-pyridinyl)amino]butanamide is sourced from PubChem (CID 115685029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).