4-[(2-cyclopropyl-1-methylbenzimidazol-5-yl)amino]-2,6-dimethylpyridine-3-carbonitrile

C19H19N5 — CID 133406706

IUPAC4-[(2-cyclopropyl-1-methylbenzimidazol-5-yl)amino]-2,6-dimethylpyridine-3-carbonitrile
SMILESCc1cc(Nc2ccc3c(c2)nc(C2CC2)n3C)c(C#N)c(C)n1
InChIInChI=1S/C19H19N5/c1-11-8-16(15(10-20)12(2)21-11)22-14-6-7-18-17(9-14)23-19(24(18)3)13-4-5-13/h6-9,13H,4-5H2,1-3H3,(H,21,22)
InChIKeyUOESCDHVJRKFDD-UHFFFAOYSA-N
MW317.40 g/mol
LogP4.08
Rot. Bonds3

About 4-[(2-cyclopropyl-1-methylbenzimidazol-5-yl)amino]-2,6-dimethylpyridine-3-carbonitrile

4-[(2-cyclopropyl-1-methylbenzimidazol-5-yl)amino]-2,6-dimethylpyridine-3-carbonitrile (PubChem CID 133406706) has the molecular formula C19H19N5 and a molecular weight of 317.40 g/mol. Its IUPAC name is 4-[(2-cyclopropyl-1-methylbenzimidazol-5-yl)amino]-2,6-dimethylpyridine-3-carbonitrile.

Molecular Properties

Compound Name4-[(2-cyclopropyl-1-methylbenzimidazol-5-yl)amino]-2,6-dimethylpyridine-3-carbonitrile
PubChem CID133406706
Molecular FormulaC19H19N5
Molecular Weight317.40 g/mol
Exact Mass317.16
IUPAC Name4-[(2-cyclopropyl-1-methylbenzimidazol-5-yl)amino]-2,6-dimethylpyridine-3-carbonitrile
SMILESCc1cc(Nc2ccc3c(c2)nc(C2CC2)n3C)c(C#N)c(C)n1
InChIInChI=1S/C19H19N5/c1-11-8-16(15(10-20)12(2)21-11)22-14-6-7-18-17(9-14)23-19(24(18)3)13-4-5-13/h6-9,13H,4-5H2,1-3H3,(H,21,22)
InChIKeyUOESCDHVJRKFDD-UHFFFAOYSA-N
XLogP4.08
TPSA66.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.40
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-cyclopropyl-1-methylbenzimidazol-5-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 133406710
4-(4-chloro-3-fluoroanilino)-2,6-dimethylpyridine-3-carbonitrile
CID 81060361
4-(4-methoxy-3-methylanilino)-2,6-dimethylpyridine-3-carbonitrile
CID 81060534
2-cyclopropyl-1-methyl-N-(4-methylsulfonyl-2-nitrophenyl)benzimidazol-5-amine
CID 133406692
4-[[6-(dimethylamino)-3-pyridinyl]amino]-2,6-dimethylpyridine-3-carbonitrile
CID 133396607
N-(3-chloro-5-nitro-2-pyridinyl)-2-cyclopropyl-1-methylbenzimidazol-5-amine
CID 133406716
N-(2-cyclopropyl-1-methylbenzimidazol-5-yl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 110779414
2-cyclopropyl-1-methyl-N-(3-nitro-2-pyridinyl)benzimidazol-5-amine
CID 133406697
N-(2-cyclopropyl-1-methylbenzimidazol-5-yl)-2-methylfuran-3-carboxamide
CID 75392652
N-[4-[(3-cyano-2,6-dimethyl-4-pyridinyl)amino]phenyl]-2-methylpropanamide
CID 133396343
4-(cyclobutylamino)-2,6-dimethylpyridine-3-carbonitrile
CID 81060746
4-(3,5-dichloro-4-fluoroanilino)-2,6-dimethylpyridine-3-carbonitrile
CID 107574631

Frequently Asked Questions

What is the IUPAC name of 4-[(2-cyclopropyl-1-methylbenzimidazol-5-yl)amino]-2,6-dimethylpyridine-3-carbonitrile?
The IUPAC name of 4-[(2-cyclopropyl-1-methylbenzimidazol-5-yl)amino]-2,6-dimethylpyridine-3-carbonitrile (CID 133406706) is 4-[(2-cyclopropyl-1-methylbenzimidazol-5-yl)amino]-2,6-dimethylpyridine-3-carbonitrile.
What is the SMILES notation for 4-[(2-cyclopropyl-1-methylbenzimidazol-5-yl)amino]-2,6-dimethylpyridine-3-carbonitrile?
The canonical SMILES for 4-[(2-cyclopropyl-1-methylbenzimidazol-5-yl)amino]-2,6-dimethylpyridine-3-carbonitrile is Cc1cc(Nc2ccc3c(c2)nc(C2CC2)n3C)c(C#N)c(C)n1.
What is the InChIKey of 4-[(2-cyclopropyl-1-methylbenzimidazol-5-yl)amino]-2,6-dimethylpyridine-3-carbonitrile?
The InChIKey is UOESCDHVJRKFDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5/c1-11-8-16(15(10-20)12(2)21-11)22-14-6-7-18-17(9-14)23-19(24(18)3)13-4-5-13/h6-9,13H,4-5H2,1-3H3,(H,21,22).
What are the key properties of 4-[(2-cyclopropyl-1-methylbenzimidazol-5-yl)amino]-2,6-dimethylpyridine-3-carbonitrile?
4-[(2-cyclopropyl-1-methylbenzimidazol-5-yl)amino]-2,6-dimethylpyridine-3-carbonitrile has a molecular weight of 317.40 g/mol, XLogP of 4.08, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-cyclopropyl-1-methylbenzimidazol-5-yl)amino]-2,6-dimethylpyridine-3-carbonitrile is sourced from PubChem (CID 133406706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).