2-amino-6-(6-methyl-1H-benzimidazol-2-yl)-4-[(3R)-oxolan-3-yl]pyridine-3-carbonitrile

C18H17N5O — CID 95469054

IUPAC2-amino-6-(6-methyl-1H-benzimidazol-2-yl)-4-[(3R)-oxolan-3-yl]pyridine-3-carbonitrile
SMILESCc1ccc2nc(-c3cc([C@H]4CCOC4)c(C#N)c(N)n3)[nH]c2c1
InChIInChI=1S/C18H17N5O/c1-10-2-3-14-15(6-10)23-18(22-14)16-7-12(11-4-5-24-9-11)13(8-19)17(20)21-16/h2-3,6-7,11H,4-5,9H2,1H3,(H2,20,21)(H,22,23)/t11-/m0/s1
InChIKeyDAEPPFFEXSVLPV-NSHDSACASA-N
MW319.37 g/mol
LogP2.89
Rot. Bonds2

About 2-amino-6-(6-methyl-1H-benzimidazol-2-yl)-4-[(3R)-oxolan-3-yl]pyridine-3-carbonitrile

2-amino-6-(6-methyl-1H-benzimidazol-2-yl)-4-[(3R)-oxolan-3-yl]pyridine-3-carbonitrile (PubChem CID 95469054) has the molecular formula C18H17N5O and a molecular weight of 319.37 g/mol. Its IUPAC name is 2-amino-6-(6-methyl-1H-benzimidazol-2-yl)-4-[(3R)-oxolan-3-yl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-amino-6-(6-methyl-1H-benzimidazol-2-yl)-4-[(3R)-oxolan-3-yl]pyridine-3-carbonitrile
PubChem CID95469054
Molecular FormulaC18H17N5O
Molecular Weight319.37 g/mol
Exact Mass319.14
IUPAC Name2-amino-6-(6-methyl-1H-benzimidazol-2-yl)-4-[(3R)-oxolan-3-yl]pyridine-3-carbonitrile
SMILESCc1ccc2nc(-c3cc([C@H]4CCOC4)c(C#N)c(N)n3)[nH]c2c1
InChIInChI=1S/C18H17N5O/c1-10-2-3-14-15(6-10)23-18(22-14)16-7-12(11-4-5-24-9-11)13(8-19)17(20)21-16/h2-3,6-7,11H,4-5,9H2,1H3,(H2,20,21)(H,22,23)/t11-/m0/s1
InChIKeyDAEPPFFEXSVLPV-NSHDSACASA-N
XLogP2.89
TPSA100.61 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.37
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-amino-6-(6-methyl-1H-benzimidazol-2-yl)-4-[(3R)-oxolan-3-yl]pyridine-3-carbonitrile with MolForge

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Related Compounds

6-methyl-2-(oxolan-3-yl)-1H-benzimidazole
CID 61311575
ethyl 3-[6-amino-5-cyano-4-[(3R)-oxolan-3-yl]-2-pyridinyl]benzoate
CID 95543421
ethyl 3-[6-amino-5-cyano-4-[(3S)-oxolan-3-yl]-2-pyridinyl]benzoate
CID 95543419
6-methyl-2-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]-1H-benzimidazole
CID 20689909
6-methyl-2-[6-(6-methyl-1H-benzimidazol-2-yl)-2-pyridinyl]-1H-benzimidazole
CID 3532439
methane;4-(6-methyl-1H-benzimidazol-2-yl)aniline
CID 159476815
2-(4-methylphenyl)-3H-benzimidazole-5-carbonitrile
CID 10489821
2-amino-6-(1H-benzimidazol-2-yl)-4-(4-methoxyphenyl)pyridine-3-carbonitrile
CID 73347759
6-methyl-2-[5-[(2S)-oxan-2-yl]furan-2-yl]-1H-benzimidazole
CID 95190849
2-amino-4-[(4R)-2,2-dimethyloxan-4-yl]-6-(4-morpholin-4-ylphenyl)pyridine-3-carbonitrile
CID 95560938
2-amino-6-(1H-benzimidazol-2-yl)-4-(3-methoxyphenyl)pyridine-3-carbonitrile
CID 73349311
2-[(6-methyl-1H-benzimidazol-2-yl)methoxy]-N-[2-(oxolan-3-yl)ethyl]acetamide
CID 118771670

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-(6-methyl-1H-benzimidazol-2-yl)-4-[(3R)-oxolan-3-yl]pyridine-3-carbonitrile?
The IUPAC name of 2-amino-6-(6-methyl-1H-benzimidazol-2-yl)-4-[(3R)-oxolan-3-yl]pyridine-3-carbonitrile (CID 95469054) is 2-amino-6-(6-methyl-1H-benzimidazol-2-yl)-4-[(3R)-oxolan-3-yl]pyridine-3-carbonitrile.
What is the SMILES notation for 2-amino-6-(6-methyl-1H-benzimidazol-2-yl)-4-[(3R)-oxolan-3-yl]pyridine-3-carbonitrile?
The canonical SMILES for 2-amino-6-(6-methyl-1H-benzimidazol-2-yl)-4-[(3R)-oxolan-3-yl]pyridine-3-carbonitrile is Cc1ccc2nc(-c3cc([C@H]4CCOC4)c(C#N)c(N)n3)[nH]c2c1.
What is the InChIKey of 2-amino-6-(6-methyl-1H-benzimidazol-2-yl)-4-[(3R)-oxolan-3-yl]pyridine-3-carbonitrile?
The InChIKey is DAEPPFFEXSVLPV-NSHDSACASA-N. The full InChI is InChI=1S/C18H17N5O/c1-10-2-3-14-15(6-10)23-18(22-14)16-7-12(11-4-5-24-9-11)13(8-19)17(20)21-16/h2-3,6-7,11H,4-5,9H2,1H3,(H2,20,21)(H,22,23)/t11-/m0/s1.
What are the key properties of 2-amino-6-(6-methyl-1H-benzimidazol-2-yl)-4-[(3R)-oxolan-3-yl]pyridine-3-carbonitrile?
2-amino-6-(6-methyl-1H-benzimidazol-2-yl)-4-[(3R)-oxolan-3-yl]pyridine-3-carbonitrile has a molecular weight of 319.37 g/mol, XLogP of 2.89, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-(6-methyl-1H-benzimidazol-2-yl)-4-[(3R)-oxolan-3-yl]pyridine-3-carbonitrile is sourced from PubChem (CID 95469054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).