N-[(1R,2R,4S)-4-[ethyl(pyridin-4-ylmethyl)carbamoyl]-2-hydroxycyclopentyl]-1H-imidazole-2-carboxamide

C18H23N5O3 — CID 157017401

IUPACN-[(1R,2R,4S)-4-[ethyl(pyridin-4-ylmethyl)carbamoyl]-2-hydroxycyclopentyl]-1H-imidazole-2-carboxamide
SMILESCCN(Cc1ccncc1)C(=O)[C@@H]1C[C@@H](O)[C@H](NC(=O)c2ncc[nH]2)C1
InChIInChI=1S/C18H23N5O3/c1-2-23(11-12-3-5-19-6-4-12)18(26)13-9-14(15(24)10-13)22-17(25)16-20-7-8-21-16/h3-8,13-15,24H,2,9-11H2,1H3,(H,20,21)(H,22,25)/t13-,14+,15+/m0/s1
InChIKeyNHIQHVPRYKPZNC-RRFJBIMHSA-N
MW357.41 g/mol
LogP0.72
Rot. Bonds6

About N-[(1R,2R,4S)-4-[ethyl(pyridin-4-ylmethyl)carbamoyl]-2-hydroxycyclopentyl]-1H-imidazole-2-carboxamide

N-[(1R,2R,4S)-4-[ethyl(pyridin-4-ylmethyl)carbamoyl]-2-hydroxycyclopentyl]-1H-imidazole-2-carboxamide (PubChem CID 157017401) has the molecular formula C18H23N5O3 and a molecular weight of 357.41 g/mol. Its IUPAC name is N-[(1R,2R,4S)-4-[ethyl(pyridin-4-ylmethyl)carbamoyl]-2-hydroxycyclopentyl]-1H-imidazole-2-carboxamide.

Molecular Properties

Compound NameN-[(1R,2R,4S)-4-[ethyl(pyridin-4-ylmethyl)carbamoyl]-2-hydroxycyclopentyl]-1H-imidazole-2-carboxamide
PubChem CID157017401
Molecular FormulaC18H23N5O3
Molecular Weight357.41 g/mol
Exact Mass357.18
IUPAC NameN-[(1R,2R,4S)-4-[ethyl(pyridin-4-ylmethyl)carbamoyl]-2-hydroxycyclopentyl]-1H-imidazole-2-carboxamide
SMILESCCN(Cc1ccncc1)C(=O)[C@@H]1C[C@@H](O)[C@H](NC(=O)c2ncc[nH]2)C1
InChIInChI=1S/C18H23N5O3/c1-2-23(11-12-3-5-19-6-4-12)18(26)13-9-14(15(24)10-13)22-17(25)16-20-7-8-21-16/h3-8,13-15,24H,2,9-11H2,1H3,(H,20,21)(H,22,25)/t13-,14+,15+/m0/s1
InChIKeyNHIQHVPRYKPZNC-RRFJBIMHSA-N
XLogP0.72
TPSA111.21 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 50.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-[(1R,2R,4S)-4-[ethyl(pyridin-4-ylmethyl)carbamoyl]-2-hydroxycyclopentyl]-1H-imidazole-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-ethyl-N-(pyridin-4-ylmethyl)piperidine-3-carboxamide
CID 54873767
N-[(1R,2S)-2-[ethyl(pyridin-4-ylmethyl)carbamoyl]cyclopentyl]-5-methylpyrazine-2-carboxamide
CID 110876714
(2R)-N-ethyl-N-(pyridin-4-ylmethyl)pyrrolidine-2-carboxamide
CID 93375226
(2S)-N-ethyl-N-(pyridin-4-ylmethyl)piperidine-2-carboxamide
CID 93375227
(3R)-1-cyclopentyl-N-ethyl-6-oxo-N-(pyridin-4-ylmethyl)piperidine-3-carboxamide
CID 25275185
1-acetyl-N-ethyl-N-(pyridin-4-ylmethyl)piperidine-2-carboxamide
CID 146086260
2-bromo-N-ethyl-N-(pyridin-4-ylmethyl)propanamide
CID 107904597
N-(3-methoxypropyl)-N-(pyridin-4-ylmethyl)cyclopentanecarboxamide
CID 56782285
2-[[ethyl(pyridin-4-ylmethyl)carbamoyl]amino]acetic acid
CID 61449449
6-[ethyl(pyridin-4-ylmethyl)amino]-6-oxohexanoic acid
CID 54876323
N-ethyl-N-[(4-fluorophenyl)methyl]cyclopentanecarboxamide
CID 91410350
1-ethyl-3-[2-(1-methylpyrrolidin-2-yl)ethyl]-1-(pyridin-4-ylmethyl)urea
CID 119059632

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R,4S)-4-[ethyl(pyridin-4-ylmethyl)carbamoyl]-2-hydroxycyclopentyl]-1H-imidazole-2-carboxamide?
The IUPAC name of N-[(1R,2R,4S)-4-[ethyl(pyridin-4-ylmethyl)carbamoyl]-2-hydroxycyclopentyl]-1H-imidazole-2-carboxamide (CID 157017401) is N-[(1R,2R,4S)-4-[ethyl(pyridin-4-ylmethyl)carbamoyl]-2-hydroxycyclopentyl]-1H-imidazole-2-carboxamide.
What is the SMILES notation for N-[(1R,2R,4S)-4-[ethyl(pyridin-4-ylmethyl)carbamoyl]-2-hydroxycyclopentyl]-1H-imidazole-2-carboxamide?
The canonical SMILES for N-[(1R,2R,4S)-4-[ethyl(pyridin-4-ylmethyl)carbamoyl]-2-hydroxycyclopentyl]-1H-imidazole-2-carboxamide is CCN(Cc1ccncc1)C(=O)[C@@H]1C[C@@H](O)[C@H](NC(=O)c2ncc[nH]2)C1.
What is the InChIKey of N-[(1R,2R,4S)-4-[ethyl(pyridin-4-ylmethyl)carbamoyl]-2-hydroxycyclopentyl]-1H-imidazole-2-carboxamide?
The InChIKey is NHIQHVPRYKPZNC-RRFJBIMHSA-N. The full InChI is InChI=1S/C18H23N5O3/c1-2-23(11-12-3-5-19-6-4-12)18(26)13-9-14(15(24)10-13)22-17(25)16-20-7-8-21-16/h3-8,13-15,24H,2,9-11H2,1H3,(H,20,21)(H,22,25)/t13-,14+,15+/m0/s1.
What are the key properties of N-[(1R,2R,4S)-4-[ethyl(pyridin-4-ylmethyl)carbamoyl]-2-hydroxycyclopentyl]-1H-imidazole-2-carboxamide?
N-[(1R,2R,4S)-4-[ethyl(pyridin-4-ylmethyl)carbamoyl]-2-hydroxycyclopentyl]-1H-imidazole-2-carboxamide has a molecular weight of 357.41 g/mol, XLogP of 0.72, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R,4S)-4-[ethyl(pyridin-4-ylmethyl)carbamoyl]-2-hydroxycyclopentyl]-1H-imidazole-2-carboxamide is sourced from PubChem (CID 157017401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).