(3S)-3-amino-1-[1-[(5-cyano-2-pyridinyl)methyl]benzimidazol-2-yl]piperidine-3-carboxamide

C20H21N7O — CID 154635625

IUPAC(3S)-3-amino-1-[1-[(5-cyano-2-pyridinyl)methyl]benzimidazol-2-yl]piperidine-3-carboxamide
SMILESN#Cc1ccc(Cn2c(N3CCC[C@@](N)(C(N)=O)C3)nc3ccccc32)nc1
InChIInChI=1S/C20H21N7O/c21-10-14-6-7-15(24-11-14)12-27-17-5-2-1-4-16(17)25-19(27)26-9-3-8-20(23,13-26)18(22)28/h1-2,4-7,11H,3,8-9,12-13,23H2,(H2,22,28)/t20-/m0/s1
InChIKeyNYJJFNOGDKDKJT-FQEVSTJZSA-N
MW375.44 g/mol
LogP1.13
Rot. Bonds4

About (3S)-3-amino-1-[1-[(5-cyano-2-pyridinyl)methyl]benzimidazol-2-yl]piperidine-3-carboxamide

(3S)-3-amino-1-[1-[(5-cyano-2-pyridinyl)methyl]benzimidazol-2-yl]piperidine-3-carboxamide (PubChem CID 154635625) has the molecular formula C20H21N7O and a molecular weight of 375.44 g/mol. Its IUPAC name is (3S)-3-amino-1-[1-[(5-cyano-2-pyridinyl)methyl]benzimidazol-2-yl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-3-amino-1-[1-[(5-cyano-2-pyridinyl)methyl]benzimidazol-2-yl]piperidine-3-carboxamide
PubChem CID154635625
Molecular FormulaC20H21N7O
Molecular Weight375.44 g/mol
Exact Mass375.18
IUPAC Name(3S)-3-amino-1-[1-[(5-cyano-2-pyridinyl)methyl]benzimidazol-2-yl]piperidine-3-carboxamide
SMILESN#Cc1ccc(Cn2c(N3CCC[C@@](N)(C(N)=O)C3)nc3ccccc32)nc1
InChIInChI=1S/C20H21N7O/c21-10-14-6-7-15(24-11-14)12-27-17-5-2-1-4-16(17)25-19(27)26-9-3-8-20(23,13-26)18(22)28/h1-2,4-7,11H,3,8-9,12-13,23H2,(H2,22,28)/t20-/m0/s1
InChIKeyNYJJFNOGDKDKJT-FQEVSTJZSA-N
XLogP1.13
TPSA126.85 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.44
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze (3S)-3-amino-1-[1-[(5-cyano-2-pyridinyl)methyl]benzimidazol-2-yl]piperidine-3-carboxamide with MolForge

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Related Compounds

6-[[2-[(3S)-3-amino-3-methylpiperidin-1-yl]benzimidazol-1-yl]methyl]pyridine-3-carbonitrile
CID 150729815
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
4-[[2-[(3S)-3-(aminomethyl)-3-hydroxypyrrolidin-1-yl]benzimidazol-1-yl]methyl]benzonitrile
CID 154696767
2-[(3R)-3-amino-4,4-difluoropiperidin-1-yl]-3-[(5-cyano-2-pyridinyl)methyl]benzimidazole-5-carbonitrile
CID 154635697
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
(3S)-3-hydroxy-1-(1-methylbenzimidazol-2-yl)piperidine-3-carboxamide
CID 129483783
4-[[2-[(3S)-3-(hydroxymethyl)piperidin-1-yl]benzimidazol-1-yl]methyl]benzonitrile
CID 97169609
5-[[2-(3-aminopiperidin-1-yl)benzimidazol-1-yl]methyl]pyridine-2-carbonitrile;2,2,2-trifluoroacetic acid
CID 155143074
4-[[2-(3-amino-4,4-difluoropiperidin-1-yl)benzimidazol-1-yl]methyl]benzonitrile
CID 155143042

Frequently Asked Questions

What is the IUPAC name of (3S)-3-amino-1-[1-[(5-cyano-2-pyridinyl)methyl]benzimidazol-2-yl]piperidine-3-carboxamide?
The IUPAC name of (3S)-3-amino-1-[1-[(5-cyano-2-pyridinyl)methyl]benzimidazol-2-yl]piperidine-3-carboxamide (CID 154635625) is (3S)-3-amino-1-[1-[(5-cyano-2-pyridinyl)methyl]benzimidazol-2-yl]piperidine-3-carboxamide.
What is the SMILES notation for (3S)-3-amino-1-[1-[(5-cyano-2-pyridinyl)methyl]benzimidazol-2-yl]piperidine-3-carboxamide?
The canonical SMILES for (3S)-3-amino-1-[1-[(5-cyano-2-pyridinyl)methyl]benzimidazol-2-yl]piperidine-3-carboxamide is N#Cc1ccc(Cn2c(N3CCC[C@@](N)(C(N)=O)C3)nc3ccccc32)nc1.
What is the InChIKey of (3S)-3-amino-1-[1-[(5-cyano-2-pyridinyl)methyl]benzimidazol-2-yl]piperidine-3-carboxamide?
The InChIKey is NYJJFNOGDKDKJT-FQEVSTJZSA-N. The full InChI is InChI=1S/C20H21N7O/c21-10-14-6-7-15(24-11-14)12-27-17-5-2-1-4-16(17)25-19(27)26-9-3-8-20(23,13-26)18(22)28/h1-2,4-7,11H,3,8-9,12-13,23H2,(H2,22,28)/t20-/m0/s1.
What are the key properties of (3S)-3-amino-1-[1-[(5-cyano-2-pyridinyl)methyl]benzimidazol-2-yl]piperidine-3-carboxamide?
(3S)-3-amino-1-[1-[(5-cyano-2-pyridinyl)methyl]benzimidazol-2-yl]piperidine-3-carboxamide has a molecular weight of 375.44 g/mol, XLogP of 1.13, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-amino-1-[1-[(5-cyano-2-pyridinyl)methyl]benzimidazol-2-yl]piperidine-3-carboxamide is sourced from PubChem (CID 154635625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).