5-(1-imidazol-1-ylpropan-2-ylamino)pyridine-2-carbonitrile

C12H13N5 — CID 113320580

IUPAC5-(1-imidazol-1-ylpropan-2-ylamino)pyridine-2-carbonitrile
SMILESCC(Cn1ccnc1)Nc1ccc(C#N)nc1
InChIInChI=1S/C12H13N5/c1-10(8-17-5-4-14-9-17)16-12-3-2-11(6-13)15-7-12/h2-5,7,9-10,16H,8H2,1H3
InChIKeyZFTRJACKCTVWHW-UHFFFAOYSA-N
MW227.27 g/mol
LogP1.65
Rot. Bonds4

About 5-(1-imidazol-1-ylpropan-2-ylamino)pyridine-2-carbonitrile

5-(1-imidazol-1-ylpropan-2-ylamino)pyridine-2-carbonitrile (PubChem CID 113320580) has the molecular formula C12H13N5 and a molecular weight of 227.27 g/mol. Its IUPAC name is 5-(1-imidazol-1-ylpropan-2-ylamino)pyridine-2-carbonitrile.

Molecular Properties

Compound Name5-(1-imidazol-1-ylpropan-2-ylamino)pyridine-2-carbonitrile
PubChem CID113320580
Molecular FormulaC12H13N5
Molecular Weight227.27 g/mol
Exact Mass227.12
IUPAC Name5-(1-imidazol-1-ylpropan-2-ylamino)pyridine-2-carbonitrile
SMILESCC(Cn1ccnc1)Nc1ccc(C#N)nc1
InChIInChI=1S/C12H13N5/c1-10(8-17-5-4-14-9-17)16-12-3-2-11(6-13)15-7-12/h2-5,7,9-10,16H,8H2,1H3
InChIKeyZFTRJACKCTVWHW-UHFFFAOYSA-N
XLogP1.65
TPSA66.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.27
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-(1-imidazol-1-ylpropan-2-ylamino)pyridine-2-carbonitrile 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

5-(2-imidazol-1-ylethylamino)pyridine-2-carbonitrile
CID 115487555
5-N-(1-imidazol-1-ylpropan-2-yl)pyridine-2,5-diamine
CID 61479602
5-[1-(diethylamino)propan-2-ylamino]pyridine-2-carbonitrile
CID 79839031
5-(butan-2-ylamino)pyridine-2-carbonitrile
CID 79839653
4-bromo-2-(1-imidazol-1-ylpropan-2-ylamino)benzonitrile
CID 114901585
4-(1-imidazol-1-ylpropan-2-ylamino)benzoic acid
CID 62230868
5-(heptan-2-ylamino)pyridine-2-carbonitrile
CID 115487559
5-[[(2R)-2-methyl-3-pyrazol-1-ylpropyl]amino]pyridine-2-carbonitrile
CID 97119021
3-bromo-N-(1-imidazol-1-ylpropan-2-yl)-4-methylpyridin-2-amine
CID 106875615
2-bromo-3-fluoro-4-(1-imidazol-1-ylpropan-2-ylamino)benzonitrile
CID 107533388
5-(1-imidazol-1-ylpropan-2-ylamino)-3-methyl-1,2-thiazole-4-carbonitrile
CID 79376250
4-[(6-cyano-3-pyridinyl)amino]pentanoic acid
CID 115487300

Frequently Asked Questions

What is the IUPAC name of 5-(1-imidazol-1-ylpropan-2-ylamino)pyridine-2-carbonitrile?
The IUPAC name of 5-(1-imidazol-1-ylpropan-2-ylamino)pyridine-2-carbonitrile (CID 113320580) is 5-(1-imidazol-1-ylpropan-2-ylamino)pyridine-2-carbonitrile.
What is the SMILES notation for 5-(1-imidazol-1-ylpropan-2-ylamino)pyridine-2-carbonitrile?
The canonical SMILES for 5-(1-imidazol-1-ylpropan-2-ylamino)pyridine-2-carbonitrile is CC(Cn1ccnc1)Nc1ccc(C#N)nc1.
What is the InChIKey of 5-(1-imidazol-1-ylpropan-2-ylamino)pyridine-2-carbonitrile?
The InChIKey is ZFTRJACKCTVWHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N5/c1-10(8-17-5-4-14-9-17)16-12-3-2-11(6-13)15-7-12/h2-5,7,9-10,16H,8H2,1H3.
What are the key properties of 5-(1-imidazol-1-ylpropan-2-ylamino)pyridine-2-carbonitrile?
5-(1-imidazol-1-ylpropan-2-ylamino)pyridine-2-carbonitrile has a molecular weight of 227.27 g/mol, XLogP of 1.65, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-imidazol-1-ylpropan-2-ylamino)pyridine-2-carbonitrile is sourced from PubChem (CID 113320580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).