(2R)-1-benzyl-N-(1H-imidazo[4,5-b]pyridin-2-ylmethyl)piperidine-2-carboxamide

C20H23N5O — CID 124620835

IUPAC(2R)-1-benzyl-N-(1H-imidazo[4,5-b]pyridin-2-ylmethyl)piperidine-2-carboxamide
SMILESO=C(NCc1nc2ncccc2[nH]1)[C@H]1CCCCN1Cc1ccccc1
InChIInChI=1S/C20H23N5O/c26-20(22-13-18-23-16-9-6-11-21-19(16)24-18)17-10-4-5-12-25(17)14-15-7-2-1-3-8-15/h1-3,6-9,11,17H,4-5,10,12-14H2,(H,22,26)(H,21,23,24)/t17-/m1/s1
InChIKeyWVBIPHBMTOQKTG-QGZVFWFLSA-N
MW349.44 g/mol
LogP2.63
Rot. Bonds5

About (2R)-1-benzyl-N-(1H-imidazo[4,5-b]pyridin-2-ylmethyl)piperidine-2-carboxamide

(2R)-1-benzyl-N-(1H-imidazo[4,5-b]pyridin-2-ylmethyl)piperidine-2-carboxamide (PubChem CID 124620835) has the molecular formula C20H23N5O and a molecular weight of 349.44 g/mol. Its IUPAC name is (2R)-1-benzyl-N-(1H-imidazo[4,5-b]pyridin-2-ylmethyl)piperidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-1-benzyl-N-(1H-imidazo[4,5-b]pyridin-2-ylmethyl)piperidine-2-carboxamide
PubChem CID124620835
Molecular FormulaC20H23N5O
Molecular Weight349.44 g/mol
Exact Mass349.19
IUPAC Name(2R)-1-benzyl-N-(1H-imidazo[4,5-b]pyridin-2-ylmethyl)piperidine-2-carboxamide
SMILESO=C(NCc1nc2ncccc2[nH]1)[C@H]1CCCCN1Cc1ccccc1
InChIInChI=1S/C20H23N5O/c26-20(22-13-18-23-16-9-6-11-21-19(16)24-18)17-10-4-5-12-25(17)14-15-7-2-1-3-8-15/h1-3,6-9,11,17H,4-5,10,12-14H2,(H,22,26)(H,21,23,24)/t17-/m1/s1
InChIKeyWVBIPHBMTOQKTG-QGZVFWFLSA-N
XLogP2.63
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3S,4S)-1-benzyl-N-(1H-imidazo[4,5-b]pyridin-2-ylmethyl)-4-methylpyrrolidine-3-carboxamide
CID 128987078
(2S)-N-[(3-amino-1H-1,2,4-triazol-5-yl)methyl]-1-benzylpyrrolidine-2-carboxamide
CID 91763258
4-[[[(2R)-1-benzylpyrrolidine-2-carbonyl]amino]methyl]benzoic acid
CID 124703936
1-benzyl-N-[(4-hydroxypyrrolidin-3-yl)methyl]piperidine-2-carboxamide
CID 120947149
(2R)-1-benzyl-N-[2-(2H-tetrazol-5-yl)ethyl]piperidine-2-carboxamide
CID 124758816
1-benzyl-N-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-2-carboxamide
CID 51094960
(2S)-1-benzyl-N-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]pyrrolidine-2-carboxamide
CID 91788449
1-benzyl-N-[3-(methylamino)propyl]piperidine-2-carboxamide;dihydrochloride
CID 119433038
1-benzyl-N-(2-methyl-1,2,4-triazol-3-yl)piperidine-2-carboxamide
CID 75515885
(2S)-1-(pyridin-3-ylmethyl)-N-[2-(pyrimidin-2-ylamino)ethyl]piperidine-2-carboxamide
CID 95619721
1-benzyl-N-pyrrolidin-3-ylpiperidine-2-carboxamide
CID 119453078
1-benzyl-N-piperidin-3-ylpiperidine-2-carboxamide;dihydrochloride
CID 119427951

Frequently Asked Questions

What is the IUPAC name of (2R)-1-benzyl-N-(1H-imidazo[4,5-b]pyridin-2-ylmethyl)piperidine-2-carboxamide?
The IUPAC name of (2R)-1-benzyl-N-(1H-imidazo[4,5-b]pyridin-2-ylmethyl)piperidine-2-carboxamide (CID 124620835) is (2R)-1-benzyl-N-(1H-imidazo[4,5-b]pyridin-2-ylmethyl)piperidine-2-carboxamide.
What is the SMILES notation for (2R)-1-benzyl-N-(1H-imidazo[4,5-b]pyridin-2-ylmethyl)piperidine-2-carboxamide?
The canonical SMILES for (2R)-1-benzyl-N-(1H-imidazo[4,5-b]pyridin-2-ylmethyl)piperidine-2-carboxamide is O=C(NCc1nc2ncccc2[nH]1)[C@H]1CCCCN1Cc1ccccc1.
What is the InChIKey of (2R)-1-benzyl-N-(1H-imidazo[4,5-b]pyridin-2-ylmethyl)piperidine-2-carboxamide?
The InChIKey is WVBIPHBMTOQKTG-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H23N5O/c26-20(22-13-18-23-16-9-6-11-21-19(16)24-18)17-10-4-5-12-25(17)14-15-7-2-1-3-8-15/h1-3,6-9,11,17H,4-5,10,12-14H2,(H,22,26)(H,21,23,24)/t17-/m1/s1.
What are the key properties of (2R)-1-benzyl-N-(1H-imidazo[4,5-b]pyridin-2-ylmethyl)piperidine-2-carboxamide?
(2R)-1-benzyl-N-(1H-imidazo[4,5-b]pyridin-2-ylmethyl)piperidine-2-carboxamide has a molecular weight of 349.44 g/mol, XLogP of 2.63, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-benzyl-N-(1H-imidazo[4,5-b]pyridin-2-ylmethyl)piperidine-2-carboxamide is sourced from PubChem (CID 124620835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).