6-[[2-[(3S)-3-amino-3-methylpiperidin-1-yl]benzimidazol-1-yl]methyl]pyridine-3-carbonitrile

C20H22N6 — CID 150729815

IUPAC6-[[2-[(3S)-3-amino-3-methylpiperidin-1-yl]benzimidazol-1-yl]methyl]pyridine-3-carbonitrile
SMILESC[C@]1(N)CCCN(c2nc3ccccc3n2Cc2ccc(C#N)cn2)C1
InChIInChI=1S/C20H22N6/c1-20(22)9-4-10-25(14-20)19-24-17-5-2-3-6-18(17)26(19)13-16-8-7-15(11-21)12-23-16/h2-3,5-8,12H,4,9-10,13-14,22H2,1H3/t20-/m0/s1
InChIKeyJRPLFWZIMLTJCS-FQEVSTJZSA-N
MW346.44 g/mol
LogP2.67
Rot. Bonds3

About 6-[[2-[(3S)-3-amino-3-methylpiperidin-1-yl]benzimidazol-1-yl]methyl]pyridine-3-carbonitrile

6-[[2-[(3S)-3-amino-3-methylpiperidin-1-yl]benzimidazol-1-yl]methyl]pyridine-3-carbonitrile (PubChem CID 150729815) has the molecular formula C20H22N6 and a molecular weight of 346.44 g/mol. Its IUPAC name is 6-[[2-[(3S)-3-amino-3-methylpiperidin-1-yl]benzimidazol-1-yl]methyl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[[2-[(3S)-3-amino-3-methylpiperidin-1-yl]benzimidazol-1-yl]methyl]pyridine-3-carbonitrile
PubChem CID150729815
Molecular FormulaC20H22N6
Molecular Weight346.44 g/mol
Exact Mass346.19
IUPAC Name6-[[2-[(3S)-3-amino-3-methylpiperidin-1-yl]benzimidazol-1-yl]methyl]pyridine-3-carbonitrile
SMILESC[C@]1(N)CCCN(c2nc3ccccc3n2Cc2ccc(C#N)cn2)C1
InChIInChI=1S/C20H22N6/c1-20(22)9-4-10-25(14-20)19-24-17-5-2-3-6-18(17)26(19)13-16-8-7-15(11-21)12-23-16/h2-3,5-8,12H,4,9-10,13-14,22H2,1H3/t20-/m0/s1
InChIKeyJRPLFWZIMLTJCS-FQEVSTJZSA-N
XLogP2.67
TPSA83.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.44
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(3S)-3-amino-1-[1-[(5-cyano-2-pyridinyl)methyl]benzimidazol-2-yl]piperidine-3-carboxamide
CID 154635625
6-[[2-[(3R,4R)-3-amino-4-fluoropiperidin-1-yl]benzimidazol-1-yl]methyl]pyridine-3-carbonitrile
CID 138562492
(5S)-9-[1-[(5-isocyano-2-pyridinyl)methyl]benzimidazol-2-yl]-1,9-diazaspiro[4.5]decane
CID 155619769
6-[[2-[(4aR,7aS)-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b][1,4]oxazin-6-yl]benzimidazol-1-yl]methyl]pyridine-3-carbonitrile
CID 154696743
2-[(3R)-3-amino-4,4-difluoropiperidin-1-yl]-3-[(5-cyano-2-pyridinyl)methyl]benzimidazole-5-carbonitrile
CID 154635697
4-[[2-[(3S)-3-(aminomethyl)-3-hydroxypyrrolidin-1-yl]benzimidazol-1-yl]methyl]benzonitrile
CID 154696767
6-[[2-(3-aminopiperidin-1-yl)-6-methoxybenzimidazol-1-yl]methyl]pyridine-3-carbonitrile
CID 155143219
6-[[2-[(3R)-3-amino-4,4-difluoropiperidin-1-yl]-5-fluorobenzimidazol-1-yl]methyl]pyridine-3-carbonitrile
CID 154696651
4-[[2-(3-amino-4,4-difluoropiperidin-1-yl)benzimidazol-1-yl]methyl]benzonitrile
CID 155143042
4-[[2-[(3S)-3-(hydroxymethyl)piperidin-1-yl]benzimidazol-1-yl]methyl]benzonitrile
CID 97169609
6-[(2-chloro-4-methylbenzimidazol-1-yl)methyl]pyridine-3-carbonitrile
CID 155154571
2-[(3R)-3-amino-3-methylpiperidin-1-yl]-1-[(2-cyano-5-fluorophenyl)methyl]-6-oxopyrimidine-5-carbonitrile
CID 129127412

Frequently Asked Questions

What is the IUPAC name of 6-[[2-[(3S)-3-amino-3-methylpiperidin-1-yl]benzimidazol-1-yl]methyl]pyridine-3-carbonitrile?
The IUPAC name of 6-[[2-[(3S)-3-amino-3-methylpiperidin-1-yl]benzimidazol-1-yl]methyl]pyridine-3-carbonitrile (CID 150729815) is 6-[[2-[(3S)-3-amino-3-methylpiperidin-1-yl]benzimidazol-1-yl]methyl]pyridine-3-carbonitrile.
What is the SMILES notation for 6-[[2-[(3S)-3-amino-3-methylpiperidin-1-yl]benzimidazol-1-yl]methyl]pyridine-3-carbonitrile?
The canonical SMILES for 6-[[2-[(3S)-3-amino-3-methylpiperidin-1-yl]benzimidazol-1-yl]methyl]pyridine-3-carbonitrile is C[C@]1(N)CCCN(c2nc3ccccc3n2Cc2ccc(C#N)cn2)C1.
What is the InChIKey of 6-[[2-[(3S)-3-amino-3-methylpiperidin-1-yl]benzimidazol-1-yl]methyl]pyridine-3-carbonitrile?
The InChIKey is JRPLFWZIMLTJCS-FQEVSTJZSA-N. The full InChI is InChI=1S/C20H22N6/c1-20(22)9-4-10-25(14-20)19-24-17-5-2-3-6-18(17)26(19)13-16-8-7-15(11-21)12-23-16/h2-3,5-8,12H,4,9-10,13-14,22H2,1H3/t20-/m0/s1.
What are the key properties of 6-[[2-[(3S)-3-amino-3-methylpiperidin-1-yl]benzimidazol-1-yl]methyl]pyridine-3-carbonitrile?
6-[[2-[(3S)-3-amino-3-methylpiperidin-1-yl]benzimidazol-1-yl]methyl]pyridine-3-carbonitrile has a molecular weight of 346.44 g/mol, XLogP of 2.67, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[2-[(3S)-3-amino-3-methylpiperidin-1-yl]benzimidazol-1-yl]methyl]pyridine-3-carbonitrile is sourced from PubChem (CID 150729815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).