2-[1-(cyclopropylmethyl)imidazol-4-yl]pyridine-4-carbonitrile

C13H12N4 — CID 90407413

IUPAC2-[1-(cyclopropylmethyl)imidazol-4-yl]pyridine-4-carbonitrile
SMILESN#Cc1ccnc(-c2cn(CC3CC3)cn2)c1
InChIInChI=1S/C13H12N4/c14-6-11-3-4-15-12(5-11)13-8-17(9-16-13)7-10-1-2-10/h3-5,8-10H,1-2,7H2
InChIKeyRFHHWXHSUUNHKQ-UHFFFAOYSA-N
MW224.27 g/mol
LogP2.23
Rot. Bonds3

About 2-[1-(cyclopropylmethyl)imidazol-4-yl]pyridine-4-carbonitrile

2-[1-(cyclopropylmethyl)imidazol-4-yl]pyridine-4-carbonitrile (PubChem CID 90407413) has the molecular formula C13H12N4 and a molecular weight of 224.27 g/mol. Its IUPAC name is 2-[1-(cyclopropylmethyl)imidazol-4-yl]pyridine-4-carbonitrile.

Molecular Properties

Compound Name2-[1-(cyclopropylmethyl)imidazol-4-yl]pyridine-4-carbonitrile
PubChem CID90407413
Molecular FormulaC13H12N4
Molecular Weight224.27 g/mol
Exact Mass224.11
IUPAC Name2-[1-(cyclopropylmethyl)imidazol-4-yl]pyridine-4-carbonitrile
SMILESN#Cc1ccnc(-c2cn(CC3CC3)cn2)c1
InChIInChI=1S/C13H12N4/c14-6-11-3-4-15-12(5-11)13-8-17(9-16-13)7-10-1-2-10/h3-5,8-10H,1-2,7H2
InChIKeyRFHHWXHSUUNHKQ-UHFFFAOYSA-N
XLogP2.23
TPSA54.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.27
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]imidazol-4-yl]pyridine-4-carbonitrile
CID 90407518
2-(1-tritylimidazol-4-yl)pyridine-4-carbonitrile
CID 90407660
2-(3-cyclopropylpyrazol-1-yl)pyridine-4-carbonitrile
CID 62487092
2-pyridin-4-ylpyridine-4-carbonitrile
CID 46315387
2-[3,5-bis(4-cyano-2-pyridinyl)cyclohexyl]pyridine-4-carbonitrile
CID 25124014
2-[4-[(dimethylamino)methyl]piperidin-1-yl]pyridine-4-carbonitrile
CID 54986436
2-[5-[3,5-bis[6-(4-cyano-2-pyridinyl)-3-pyridinyl]phenyl]-2-pyridinyl]pyridine-4-carbonitrile
CID 118397873
2-(5-amino-2-pyridinyl)pyridine-4-carbonitrile
CID 137352887
2-[4-(ethylaminomethyl)piperidin-1-yl]pyridine-4-carbonitrile
CID 80551978
2-[1-[2-(2-cyclopropylethylamino)ethyl]imidazol-4-yl]pyridine-4-carboxylic acid
CID 90407461
2-(9-benzyl-9-azabicyclo[3.3.1]non-2-en-3-yl)pyridine-4-carbonitrile
CID 171971431
2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]pyridine-4-carbonitrile
CID 63274025

Frequently Asked Questions

What is the IUPAC name of 2-[1-(cyclopropylmethyl)imidazol-4-yl]pyridine-4-carbonitrile?
The IUPAC name of 2-[1-(cyclopropylmethyl)imidazol-4-yl]pyridine-4-carbonitrile (CID 90407413) is 2-[1-(cyclopropylmethyl)imidazol-4-yl]pyridine-4-carbonitrile.
What is the SMILES notation for 2-[1-(cyclopropylmethyl)imidazol-4-yl]pyridine-4-carbonitrile?
The canonical SMILES for 2-[1-(cyclopropylmethyl)imidazol-4-yl]pyridine-4-carbonitrile is N#Cc1ccnc(-c2cn(CC3CC3)cn2)c1.
What is the InChIKey of 2-[1-(cyclopropylmethyl)imidazol-4-yl]pyridine-4-carbonitrile?
The InChIKey is RFHHWXHSUUNHKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4/c14-6-11-3-4-15-12(5-11)13-8-17(9-16-13)7-10-1-2-10/h3-5,8-10H,1-2,7H2.
What are the key properties of 2-[1-(cyclopropylmethyl)imidazol-4-yl]pyridine-4-carbonitrile?
2-[1-(cyclopropylmethyl)imidazol-4-yl]pyridine-4-carbonitrile has a molecular weight of 224.27 g/mol, XLogP of 2.23, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(cyclopropylmethyl)imidazol-4-yl]pyridine-4-carbonitrile is sourced from PubChem (CID 90407413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).