N-[[2-(benzimidazol-1-yl)-3-pyridinyl]methyl]-1-methylpiperidine-2-carboxamide

C20H23N5O — CID 45182568

IUPACN-[[2-(benzimidazol-1-yl)-3-pyridinyl]methyl]-1-methylpiperidine-2-carboxamide
SMILESCN1CCCCC1C(=O)NCc1cccnc1-n1cnc2ccccc21
InChIInChI=1S/C20H23N5O/c1-24-12-5-4-10-18(24)20(26)22-13-15-7-6-11-21-19(15)25-14-23-16-8-2-3-9-17(16)25/h2-3,6-9,11,14,18H,4-5,10,12-13H2,1H3,(H,22,26)
InChIKeyFOSNECXGDLBUEF-UHFFFAOYSA-N
MW349.44 g/mol
LogP2.52
Rot. Bonds4

About N-[[2-(benzimidazol-1-yl)-3-pyridinyl]methyl]-1-methylpiperidine-2-carboxamide

N-[[2-(benzimidazol-1-yl)-3-pyridinyl]methyl]-1-methylpiperidine-2-carboxamide (PubChem CID 45182568) has the molecular formula C20H23N5O and a molecular weight of 349.44 g/mol. Its IUPAC name is N-[[2-(benzimidazol-1-yl)-3-pyridinyl]methyl]-1-methylpiperidine-2-carboxamide.

Molecular Properties

Compound NameN-[[2-(benzimidazol-1-yl)-3-pyridinyl]methyl]-1-methylpiperidine-2-carboxamide
PubChem CID45182568
Molecular FormulaC20H23N5O
Molecular Weight349.44 g/mol
Exact Mass349.19
IUPAC NameN-[[2-(benzimidazol-1-yl)-3-pyridinyl]methyl]-1-methylpiperidine-2-carboxamide
SMILESCN1CCCCC1C(=O)NCc1cccnc1-n1cnc2ccccc21
InChIInChI=1S/C20H23N5O/c1-24-12-5-4-10-18(24)20(26)22-13-15-7-6-11-21-19(15)25-14-23-16-8-2-3-9-17(16)25/h2-3,6-9,11,14,18H,4-5,10,12-13H2,1H3,(H,22,26)
InChIKeyFOSNECXGDLBUEF-UHFFFAOYSA-N
XLogP2.52
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-1-methyl-N-[[2-(4-pyridin-2-ylpiperazin-1-yl)-3-pyridinyl]methyl]azepane-2-carboxamide
CID 25461455
N-[(2-chlorophenyl)methyl]-1-methylpiperidine-2-carboxamide
CID 110851383
(2S)-N-[[2-(benzimidazol-1-yl)-3-pyridinyl]methyl]-2-hydroxy-2-phenylpropanamide
CID 95191566
1-(3-ethyl-2-pyridinyl)benzimidazole
CID 148503736
N-[[2-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]-1-propan-2-ylpiperidine-2-carboxamide
CID 154749067
(2S)-N-[[2-(benzimidazol-1-yl)-3-pyridinyl]methyl]-2-methyl-3-(1,2,4-triazol-1-yl)propanamide
CID 95223644
N-[[2-(benzimidazol-1-yl)-3-pyridinyl]methyl]-3-[(4S)-2,5-dioxoimidazolidin-4-yl]propanamide
CID 95200164
(2R)-N-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)methyl]-1-methylazepane-2-carboxamide
CID 97113385
1-methyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]azepane-2-carboxamide
CID 72916172
(2R)-1-methyl-N-(2-pyridin-2-ylsulfanylethyl)azepane-2-carboxamide
CID 97189055
(2R)-1-methyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]azepane-2-carboxamide
CID 97145298
[2-(benzimidazol-1-yl)-3-pyridinyl]methanamine;dihydrochloride
CID 50988410

Frequently Asked Questions

What is the IUPAC name of N-[[2-(benzimidazol-1-yl)-3-pyridinyl]methyl]-1-methylpiperidine-2-carboxamide?
The IUPAC name of N-[[2-(benzimidazol-1-yl)-3-pyridinyl]methyl]-1-methylpiperidine-2-carboxamide (CID 45182568) is N-[[2-(benzimidazol-1-yl)-3-pyridinyl]methyl]-1-methylpiperidine-2-carboxamide.
What is the SMILES notation for N-[[2-(benzimidazol-1-yl)-3-pyridinyl]methyl]-1-methylpiperidine-2-carboxamide?
The canonical SMILES for N-[[2-(benzimidazol-1-yl)-3-pyridinyl]methyl]-1-methylpiperidine-2-carboxamide is CN1CCCCC1C(=O)NCc1cccnc1-n1cnc2ccccc21.
What is the InChIKey of N-[[2-(benzimidazol-1-yl)-3-pyridinyl]methyl]-1-methylpiperidine-2-carboxamide?
The InChIKey is FOSNECXGDLBUEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O/c1-24-12-5-4-10-18(24)20(26)22-13-15-7-6-11-21-19(15)25-14-23-16-8-2-3-9-17(16)25/h2-3,6-9,11,14,18H,4-5,10,12-13H2,1H3,(H,22,26).
What are the key properties of N-[[2-(benzimidazol-1-yl)-3-pyridinyl]methyl]-1-methylpiperidine-2-carboxamide?
N-[[2-(benzimidazol-1-yl)-3-pyridinyl]methyl]-1-methylpiperidine-2-carboxamide has a molecular weight of 349.44 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(benzimidazol-1-yl)-3-pyridinyl]methyl]-1-methylpiperidine-2-carboxamide is sourced from PubChem (CID 45182568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).