(1S,3R,4R)-3-hydroxy-N-(pyridin-2-ylmethyl)-4-[4-(1,2,4-triazol-1-yl)butanoylamino]cyclopentane-1-carboxamide

C18H24N6O3 — CID 162635412

IUPAC(1S,3R,4R)-3-hydroxy-N-(pyridin-2-ylmethyl)-4-[4-(1,2,4-triazol-1-yl)butanoylamino]cyclopentane-1-carboxamide
SMILESO=C(CCCn1cncn1)N[C@@H]1C[C@H](C(=O)NCc2ccccn2)C[C@H]1O
InChIInChI=1S/C18H24N6O3/c25-16-9-13(18(27)21-10-14-4-1-2-6-20-14)8-15(16)23-17(26)5-3-7-24-12-19-11-22-24/h1-2,4,6,11-13,15-16,25H,3,5,7-10H2,(H,21,27)(H,23,26)/t13-,15+,16+/m0/s1
InChIKeyDIJDQMXPOFWHPI-NUEKZKHPSA-N
MW372.43 g/mol
LogP0.03
Rot. Bonds8

About (1S,3R,4R)-3-hydroxy-N-(pyridin-2-ylmethyl)-4-[4-(1,2,4-triazol-1-yl)butanoylamino]cyclopentane-1-carboxamide

(1S,3R,4R)-3-hydroxy-N-(pyridin-2-ylmethyl)-4-[4-(1,2,4-triazol-1-yl)butanoylamino]cyclopentane-1-carboxamide (PubChem CID 162635412) has the molecular formula C18H24N6O3 and a molecular weight of 372.43 g/mol. Its IUPAC name is (1S,3R,4R)-3-hydroxy-N-(pyridin-2-ylmethyl)-4-[4-(1,2,4-triazol-1-yl)butanoylamino]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name(1S,3R,4R)-3-hydroxy-N-(pyridin-2-ylmethyl)-4-[4-(1,2,4-triazol-1-yl)butanoylamino]cyclopentane-1-carboxamide
PubChem CID162635412
Molecular FormulaC18H24N6O3
Molecular Weight372.43 g/mol
Exact Mass372.19
IUPAC Name(1S,3R,4R)-3-hydroxy-N-(pyridin-2-ylmethyl)-4-[4-(1,2,4-triazol-1-yl)butanoylamino]cyclopentane-1-carboxamide
SMILESO=C(CCCn1cncn1)N[C@@H]1C[C@H](C(=O)NCc2ccccn2)C[C@H]1O
InChIInChI=1S/C18H24N6O3/c25-16-9-13(18(27)21-10-14-4-1-2-6-20-14)8-15(16)23-17(26)5-3-7-24-12-19-11-22-24/h1-2,4,6,11-13,15-16,25H,3,5,7-10H2,(H,21,27)(H,23,26)/t13-,15+,16+/m0/s1
InChIKeyDIJDQMXPOFWHPI-NUEKZKHPSA-N
XLogP0.03
TPSA122.03 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 50.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Launch Full Analysis

Related Compounds

N-[(1S,2S)-2-hydroxycyclooctyl]-4-(1,2,4-triazol-1-yl)butanamide
CID 154565061
N-[(1R,2R,3R)-2-hydroxy-3-pyrrolidin-1-ylcyclohexyl]-4-(1,2,4-triazol-1-yl)butanamide
CID 110127909
N-[(1R,2R)-2-hydroxy-4-(pyrazol-1-ylmethyl)cyclopentyl]-4-pyridin-2-ylbutanamide
CID 146110013
(3S)-5-oxo-1-(pyridin-2-ylmethyl)-N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]pyrrolidine-3-carboxamide
CID 94150434
4-N-cyclopropyl-1-N-(pyridin-2-ylmethyl)cyclohexane-1,4-dicarboxamide
CID 109144683
(3S,5S)-1-benzyl-5-(pyridin-2-ylmethylcarbamoyl)piperidine-3-carboxylic acid
CID 56875384
N-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-4-(1,2,4-triazol-1-yl)butanamide
CID 131901507
4-(1,2,4-triazol-1-yl)butanehydrazide
CID 63572043
(1S,3S,4S)-3-hydroxy-4-(3-pyrazol-1-ylpropanoylamino)-N-(1,3-thiazol-4-ylmethyl)cyclohexane-1-carboxamide
CID 155912192
N-(pyridin-2-ylmethyl)piperidine-4-carboxamide;hydrochloride
CID 56832240
N,N'-bis(pyridin-2-ylmethyl)heptanediamide;molecular hydrogen
CID 143988612
(3R,5S)-1-(cyclopropylmethyl)-5-(pyridin-2-ylmethylcarbamoyl)piperidine-3-carboxylic acid
CID 133114419

Frequently Asked Questions

What is the IUPAC name of (1S,3R,4R)-3-hydroxy-N-(pyridin-2-ylmethyl)-4-[4-(1,2,4-triazol-1-yl)butanoylamino]cyclopentane-1-carboxamide?
The IUPAC name of (1S,3R,4R)-3-hydroxy-N-(pyridin-2-ylmethyl)-4-[4-(1,2,4-triazol-1-yl)butanoylamino]cyclopentane-1-carboxamide (CID 162635412) is (1S,3R,4R)-3-hydroxy-N-(pyridin-2-ylmethyl)-4-[4-(1,2,4-triazol-1-yl)butanoylamino]cyclopentane-1-carboxamide.
What is the SMILES notation for (1S,3R,4R)-3-hydroxy-N-(pyridin-2-ylmethyl)-4-[4-(1,2,4-triazol-1-yl)butanoylamino]cyclopentane-1-carboxamide?
The canonical SMILES for (1S,3R,4R)-3-hydroxy-N-(pyridin-2-ylmethyl)-4-[4-(1,2,4-triazol-1-yl)butanoylamino]cyclopentane-1-carboxamide is O=C(CCCn1cncn1)N[C@@H]1C[C@H](C(=O)NCc2ccccn2)C[C@H]1O.
What is the InChIKey of (1S,3R,4R)-3-hydroxy-N-(pyridin-2-ylmethyl)-4-[4-(1,2,4-triazol-1-yl)butanoylamino]cyclopentane-1-carboxamide?
The InChIKey is DIJDQMXPOFWHPI-NUEKZKHPSA-N. The full InChI is InChI=1S/C18H24N6O3/c25-16-9-13(18(27)21-10-14-4-1-2-6-20-14)8-15(16)23-17(26)5-3-7-24-12-19-11-22-24/h1-2,4,6,11-13,15-16,25H,3,5,7-10H2,(H,21,27)(H,23,26)/t13-,15+,16+/m0/s1.
What are the key properties of (1S,3R,4R)-3-hydroxy-N-(pyridin-2-ylmethyl)-4-[4-(1,2,4-triazol-1-yl)butanoylamino]cyclopentane-1-carboxamide?
(1S,3R,4R)-3-hydroxy-N-(pyridin-2-ylmethyl)-4-[4-(1,2,4-triazol-1-yl)butanoylamino]cyclopentane-1-carboxamide has a molecular weight of 372.43 g/mol, XLogP of 0.03, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,3R,4R)-3-hydroxy-N-(pyridin-2-ylmethyl)-4-[4-(1,2,4-triazol-1-yl)butanoylamino]cyclopentane-1-carboxamide is sourced from PubChem (CID 162635412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).