N-[[2-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]-1-pyridin-3-ylcyclopentane-1-carboxamide

C21H23N5O — CID 139008860

IUPACN-[[2-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]-1-pyridin-3-ylcyclopentane-1-carboxamide
SMILESCc1nccn1-c1ncccc1CNC(=O)C1(c2cccnc2)CCCC1
InChIInChI=1S/C21H23N5O/c1-16-23-12-13-26(16)19-17(6-4-11-24-19)14-25-20(27)21(8-2-3-9-21)18-7-5-10-22-15-18/h4-7,10-13,15H,2-3,8-9,14H2,1H3,(H,25,27)
InChIKeyLFJVHIZNHQKDEX-UHFFFAOYSA-N
MW361.45 g/mol
LogP3.10
Rot. Bonds5

About N-[[2-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]-1-pyridin-3-ylcyclopentane-1-carboxamide

N-[[2-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]-1-pyridin-3-ylcyclopentane-1-carboxamide (PubChem CID 139008860) has the molecular formula C21H23N5O and a molecular weight of 361.45 g/mol. Its IUPAC name is N-[[2-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]-1-pyridin-3-ylcyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-[[2-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]-1-pyridin-3-ylcyclopentane-1-carboxamide
PubChem CID139008860
Molecular FormulaC21H23N5O
Molecular Weight361.45 g/mol
Exact Mass361.19
IUPAC NameN-[[2-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]-1-pyridin-3-ylcyclopentane-1-carboxamide
SMILESCc1nccn1-c1ncccc1CNC(=O)C1(c2cccnc2)CCCC1
InChIInChI=1S/C21H23N5O/c1-16-23-12-13-26(16)19-17(6-4-11-24-19)14-25-20(27)21(8-2-3-9-21)18-7-5-10-22-15-18/h4-7,10-13,15H,2-3,8-9,14H2,1H3,(H,25,27)
InChIKeyLFJVHIZNHQKDEX-UHFFFAOYSA-N
XLogP3.10
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-fluorophenyl)-N-[[2-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]cyclobutane-1-carboxamide
CID 138996652
N-[[2-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]-1-propan-2-ylpiperidine-2-carboxamide
CID 154749067
1-[[2-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]-3-[2-(2-oxopyrrolidin-1-yl)ethyl]urea
CID 138003231
N-[[2-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]-3,3-diphenylpropanamide
CID 60565634
N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]-1-(3-methylphenyl)cyclopropane-1-carboxamide
CID 56818547
cis-(1S,2R)-2-(furan-2-yl)-N-[[2-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]cyclopropane-1-carboxamide
CID 99845704
1-(3-fluoro-4-methylphenyl)-3-[[2-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]urea
CID 56818885
N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]pyridine-3-carboxamide
CID 53159101
1-(4-fluorophenyl)-N-(pyridin-3-ylmethyl)cyclopentane-1-carboxamide
CID 51155660
N-[[2-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]propan-1-amine
CID 62293470
N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]-3-pyridin-3-ylpropanamide
CID 48735080
2-(2-methylimidazol-1-yl)-N-(pyridin-3-ylmethyl)pyridin-3-amine
CID 60944674

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]-1-pyridin-3-ylcyclopentane-1-carboxamide?
The IUPAC name of N-[[2-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]-1-pyridin-3-ylcyclopentane-1-carboxamide (CID 139008860) is N-[[2-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]-1-pyridin-3-ylcyclopentane-1-carboxamide.
What is the SMILES notation for N-[[2-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]-1-pyridin-3-ylcyclopentane-1-carboxamide?
The canonical SMILES for N-[[2-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]-1-pyridin-3-ylcyclopentane-1-carboxamide is Cc1nccn1-c1ncccc1CNC(=O)C1(c2cccnc2)CCCC1.
What is the InChIKey of N-[[2-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]-1-pyridin-3-ylcyclopentane-1-carboxamide?
The InChIKey is LFJVHIZNHQKDEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O/c1-16-23-12-13-26(16)19-17(6-4-11-24-19)14-25-20(27)21(8-2-3-9-21)18-7-5-10-22-15-18/h4-7,10-13,15H,2-3,8-9,14H2,1H3,(H,25,27).
What are the key properties of N-[[2-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]-1-pyridin-3-ylcyclopentane-1-carboxamide?
N-[[2-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]-1-pyridin-3-ylcyclopentane-1-carboxamide has a molecular weight of 361.45 g/mol, XLogP of 3.10, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]-1-pyridin-3-ylcyclopentane-1-carboxamide is sourced from PubChem (CID 139008860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).