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

2-Amino-1-Methyl-6-Phenylimidazo(4,5-b)Pyridine
CID 1530
Lerisetron
CID 65997
Glu-P 2
CID 49970
Glu-P 1
CID 49971
Miransertib
CID 53262401
2-(pyridin-3-yl)-1H-1,3-benzodiazole
CID 247635
2-((4-pyridin-2-ylpiperazine-1-yl)methyl)-1H-benzimidazole
CID 5025739
2-(pyridin-4-yl)-1H-1,3-benzodiazole
CID 247634
4-(7-((Dimethylamino)methyl)-2-(4-fluorophenyl)imidazo(1,2-a)pyridin-3-yl)pyrimidin-2-amine
CID 10133248
3-(4-(Piperidin-1-ylmethyl)phenyl)-9H-pyrrolo[2,3-b:5,4-c']dipyridine-6-carbonitrile
CID 44545757
Eapb-0203
CID 24779760
2-(5-Ethyl-2-pyridyl)benzimidazole
CID 49746

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).