cis-(1R,3S)-3-[(2-cyclohexyloxypyridine-4-carbonyl)amino]cyclopentane-1-carboxylic acid

C18H24N2O4 — CID 120678191

IUPACcis-(1R,3S)-3-[(2-cyclohexyloxypyridine-4-carbonyl)amino]cyclopentane-1-carboxylic acid
SMILESO=C(N[C@H]1CC[C@@H](C(=O)O)C1)c1ccnc(OC2CCCCC2)c1
InChIInChI=1S/C18H24N2O4/c21-17(20-14-7-6-13(10-14)18(22)23)12-8-9-19-16(11-12)24-15-4-2-1-3-5-15/h8-9,11,13-15H,1-7,10H2,(H,20,21)(H,22,23)/t13-,14+/m1/s1
InChIKeyRGDXSLSBIPTJQO-KGLIPLIRSA-N
MW332.40 g/mol
LogP2.78
Rot. Bonds5

About cis-(1R,3S)-3-[(2-cyclohexyloxypyridine-4-carbonyl)amino]cyclopentane-1-carboxylic acid

cis-(1R,3S)-3-[(2-cyclohexyloxypyridine-4-carbonyl)amino]cyclopentane-1-carboxylic acid (PubChem CID 120678191) has the molecular formula C18H24N2O4 and a molecular weight of 332.40 g/mol. Its IUPAC name is cis-(1R,3S)-3-[(2-cyclohexyloxypyridine-4-carbonyl)amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1R,3S)-3-[(2-cyclohexyloxypyridine-4-carbonyl)amino]cyclopentane-1-carboxylic acid
PubChem CID120678191
Molecular FormulaC18H24N2O4
Molecular Weight332.40 g/mol
Exact Mass332.17
IUPAC Namecis-(1R,3S)-3-[(2-cyclohexyloxypyridine-4-carbonyl)amino]cyclopentane-1-carboxylic acid
SMILESO=C(N[C@H]1CC[C@@H](C(=O)O)C1)c1ccnc(OC2CCCCC2)c1
InChIInChI=1S/C18H24N2O4/c21-17(20-14-7-6-13(10-14)18(22)23)12-8-9-19-16(11-12)24-15-4-2-1-3-5-15/h8-9,11,13-15H,1-7,10H2,(H,20,21)(H,22,23)/t13-,14+/m1/s1
InChIKeyRGDXSLSBIPTJQO-KGLIPLIRSA-N
XLogP2.78
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(2-chloropyridine-4-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 103932881
3-[(2-fluoropyridine-4-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 114036906
N-cyclododecyl-2-(oxolan-3-yloxy)pyridine-4-carboxamide
CID 121160706
4-[(2-cyclohexyloxy-4-pyridinyl)methylamino]cyclohexane-1-carboxylic acid
CID 122030855
N-cyclohexyl-2-(oxolan-3-yloxy)pyridine-4-carboxamide
CID 91815236
N-cyclohexyl-2-methoxypyridine-4-carboxamide
CID 110848962
2-cyclopentyloxy-N-(1-cyclopropyl-5-oxopyrrolidin-3-yl)pyridine-4-carboxamide
CID 91815511
4-[(2-phenylmethoxypyridine-4-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 120524557
2-cyclobutyloxy-N-(5-oxa-2-azaspiro[3.4]octan-7-yl)pyridine-4-carboxamide
CID 167764748
4-[2-[(2-cyclobutyloxypyridine-4-carbonyl)amino]ethyl]benzoic acid
CID 120512957
2-(2-cyclobutyloxypyridine-4-carbonyl)-3,4-dihydro-1H-isoquinoline-7-carboxylic acid
CID 120535066
2-cyclopentyloxy-N-(pyridin-2-ylmethyl)pyridine-4-carboxamide
CID 91815463

Frequently Asked Questions

What is the IUPAC name of cis-(1R,3S)-3-[(2-cyclohexyloxypyridine-4-carbonyl)amino]cyclopentane-1-carboxylic acid?
The IUPAC name of cis-(1R,3S)-3-[(2-cyclohexyloxypyridine-4-carbonyl)amino]cyclopentane-1-carboxylic acid (CID 120678191) is cis-(1R,3S)-3-[(2-cyclohexyloxypyridine-4-carbonyl)amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for cis-(1R,3S)-3-[(2-cyclohexyloxypyridine-4-carbonyl)amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for cis-(1R,3S)-3-[(2-cyclohexyloxypyridine-4-carbonyl)amino]cyclopentane-1-carboxylic acid is O=C(N[C@H]1CC[C@@H](C(=O)O)C1)c1ccnc(OC2CCCCC2)c1.
What is the InChIKey of cis-(1R,3S)-3-[(2-cyclohexyloxypyridine-4-carbonyl)amino]cyclopentane-1-carboxylic acid?
The InChIKey is RGDXSLSBIPTJQO-KGLIPLIRSA-N. The full InChI is InChI=1S/C18H24N2O4/c21-17(20-14-7-6-13(10-14)18(22)23)12-8-9-19-16(11-12)24-15-4-2-1-3-5-15/h8-9,11,13-15H,1-7,10H2,(H,20,21)(H,22,23)/t13-,14+/m1/s1.
What are the key properties of cis-(1R,3S)-3-[(2-cyclohexyloxypyridine-4-carbonyl)amino]cyclopentane-1-carboxylic acid?
cis-(1R,3S)-3-[(2-cyclohexyloxypyridine-4-carbonyl)amino]cyclopentane-1-carboxylic acid has a molecular weight of 332.40 g/mol, XLogP of 2.78, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,3S)-3-[(2-cyclohexyloxypyridine-4-carbonyl)amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 120678191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).