N-(1H-benzimidazol-2-yl)-4-[bis[(3-methyl-2-pyridinyl)methyl]amino]piperidine-1-carboxamide

C27H31N7O — CID 58996943

IUPACN-(1H-benzimidazol-2-yl)-4-[bis[(3-methyl-2-pyridinyl)methyl]amino]piperidine-1-carboxamide
SMILESCc1cccnc1CN(Cc1ncccc1C)C1CCN(C(=O)Nc2nc3ccccc3[nH]2)CC1
InChIInChI=1S/C27H31N7O/c1-19-7-5-13-28-24(19)17-34(18-25-20(2)8-6-14-29-25)21-11-15-33(16-12-21)27(35)32-26-30-22-9-3-4-10-23(22)31-26/h3-10,13-14,21H,11-12,15-18H2,1-2H3,(H2,30,31,32,35)
InChIKeyPODSPSNBFVWSGX-UHFFFAOYSA-N
MW469.59 g/mol
LogP4.67
Rot. Bonds6

About N-(1H-benzimidazol-2-yl)-4-[bis[(3-methyl-2-pyridinyl)methyl]amino]piperidine-1-carboxamide

N-(1H-benzimidazol-2-yl)-4-[bis[(3-methyl-2-pyridinyl)methyl]amino]piperidine-1-carboxamide (PubChem CID 58996943) has the molecular formula C27H31N7O and a molecular weight of 469.59 g/mol. Its IUPAC name is N-(1H-benzimidazol-2-yl)-4-[bis[(3-methyl-2-pyridinyl)methyl]amino]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(1H-benzimidazol-2-yl)-4-[bis[(3-methyl-2-pyridinyl)methyl]amino]piperidine-1-carboxamide
PubChem CID58996943
Molecular FormulaC27H31N7O
Molecular Weight469.59 g/mol
Exact Mass469.26
IUPAC NameN-(1H-benzimidazol-2-yl)-4-[bis[(3-methyl-2-pyridinyl)methyl]amino]piperidine-1-carboxamide
SMILESCc1cccnc1CN(Cc1ncccc1C)C1CCN(C(=O)Nc2nc3ccccc3[nH]2)CC1
InChIInChI=1S/C27H31N7O/c1-19-7-5-13-28-24(19)17-34(18-25-20(2)8-6-14-29-25)21-11-15-33(16-12-21)27(35)32-26-30-22-9-3-4-10-23(22)31-26/h3-10,13-14,21H,11-12,15-18H2,1-2H3,(H2,30,31,32,35)
InChIKeyPODSPSNBFVWSGX-UHFFFAOYSA-N
XLogP4.67
TPSA90.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.59
LogP ≤ 54.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[bis[(3-methyl-2-pyridinyl)methyl]amino]piperidine-1-carbohydrazide
CID 58997019
[4-[bis[(3-methyl-2-pyridinyl)methyl]amino]piperidin-1-yl]-isoquinolin-3-ylmethanone
CID 58997033
4-[(3,5-dimethyl-2-pyridinyl)methyl-[(3-propan-2-yl-2-pyridinyl)methyl]amino]-N-(1H-imidazol-2-yl)piperidine-1-carboxamide
CID 58997168
4-[(5-chloro-3-methyl-2-pyridinyl)methyl-(isoquinolin-1-ylmethyl)amino]-N-(1H-imidazol-2-yl)piperidine-1-carboxamide
CID 58996992
(2S)-2-(1H-benzimidazol-2-yl)-N-[2-(3-methyl-2-pyridinyl)ethyl]pyrrolidine-1-carboxamide
CID 125144818
N-[2-(1H-benzimidazol-2-ylamino)-2-oxoethyl]-4-pyridin-2-ylpiperazine-1-carboxamide
CID 51053879
(2-methylphenyl) N-(1H-benzimidazol-2-yl)carbamate
CID 139747232
1-(1H-benzimidazol-2-yl)-3-cyclohexylurea
CID 4159955
4-(1,3-benzoxazol-2-yl)-N-[(2S)-1-(3-methyl-2-pyridinyl)propan-2-yl]piperidine-1-carboxamide
CID 126447658
N-(1H-benzimidazol-2-yl)-1-(methylsulfamoyl)piperidine-4-carboxamide
CID 146124527
4-[(5-chloro-3-methyl-2-pyridinyl)methyl-[(3-propan-2-yl-2-pyridinyl)methyl]amino]piperidine-1-carboxylic acid
CID 69294815
4-(1H-benzimidazol-2-yl)-N-[2-methyl-3-(pyrrolidine-1-carbonyl)phenyl]piperidine-1-carboxamide
CID 166205070

Frequently Asked Questions

What is the IUPAC name of N-(1H-benzimidazol-2-yl)-4-[bis[(3-methyl-2-pyridinyl)methyl]amino]piperidine-1-carboxamide?
The IUPAC name of N-(1H-benzimidazol-2-yl)-4-[bis[(3-methyl-2-pyridinyl)methyl]amino]piperidine-1-carboxamide (CID 58996943) is N-(1H-benzimidazol-2-yl)-4-[bis[(3-methyl-2-pyridinyl)methyl]amino]piperidine-1-carboxamide.
What is the SMILES notation for N-(1H-benzimidazol-2-yl)-4-[bis[(3-methyl-2-pyridinyl)methyl]amino]piperidine-1-carboxamide?
The canonical SMILES for N-(1H-benzimidazol-2-yl)-4-[bis[(3-methyl-2-pyridinyl)methyl]amino]piperidine-1-carboxamide is Cc1cccnc1CN(Cc1ncccc1C)C1CCN(C(=O)Nc2nc3ccccc3[nH]2)CC1.
What is the InChIKey of N-(1H-benzimidazol-2-yl)-4-[bis[(3-methyl-2-pyridinyl)methyl]amino]piperidine-1-carboxamide?
The InChIKey is PODSPSNBFVWSGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31N7O/c1-19-7-5-13-28-24(19)17-34(18-25-20(2)8-6-14-29-25)21-11-15-33(16-12-21)27(35)32-26-30-22-9-3-4-10-23(22)31-26/h3-10,13-14,21H,11-12,15-18H2,1-2H3,(H2,30,31,32,35).
What are the key properties of N-(1H-benzimidazol-2-yl)-4-[bis[(3-methyl-2-pyridinyl)methyl]amino]piperidine-1-carboxamide?
N-(1H-benzimidazol-2-yl)-4-[bis[(3-methyl-2-pyridinyl)methyl]amino]piperidine-1-carboxamide has a molecular weight of 469.59 g/mol, XLogP of 4.67, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-benzimidazol-2-yl)-4-[bis[(3-methyl-2-pyridinyl)methyl]amino]piperidine-1-carboxamide is sourced from PubChem (CID 58996943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).