N-[(1R,2S,3R,5R)-2,3-dihydroxy-5-(2-methylphenyl)cyclopentyl]pyridine-3-carboxamide

C18H20N2O3 — CID 71693760

IUPACN-[(1R,2S,3R,5R)-2,3-dihydroxy-5-(2-methylphenyl)cyclopentyl]pyridine-3-carboxamide
SMILESCc1ccccc1[C@H]1C[C@@H](O)[C@@H](O)[C@@H]1NC(=O)c1cccnc1
InChIInChI=1S/C18H20N2O3/c1-11-5-2-3-7-13(11)14-9-15(21)17(22)16(14)20-18(23)12-6-4-8-19-10-12/h2-8,10,14-17,21-22H,9H2,1H3,(H,20,23)/t14-,15-,16-,17-/m1/s1
InChIKeyOWZNBEOWSOQITF-QBPKDAKJSA-N
MW312.37 g/mol
LogP1.40
Rot. Bonds3

About N-[(1R,2S,3R,5R)-2,3-dihydroxy-5-(2-methylphenyl)cyclopentyl]pyridine-3-carboxamide

N-[(1R,2S,3R,5R)-2,3-dihydroxy-5-(2-methylphenyl)cyclopentyl]pyridine-3-carboxamide (PubChem CID 71693760) has the molecular formula C18H20N2O3 and a molecular weight of 312.37 g/mol. Its IUPAC name is N-[(1R,2S,3R,5R)-2,3-dihydroxy-5-(2-methylphenyl)cyclopentyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(1R,2S,3R,5R)-2,3-dihydroxy-5-(2-methylphenyl)cyclopentyl]pyridine-3-carboxamide
PubChem CID71693760
Molecular FormulaC18H20N2O3
Molecular Weight312.37 g/mol
Exact Mass312.15
IUPAC NameN-[(1R,2S,3R,5R)-2,3-dihydroxy-5-(2-methylphenyl)cyclopentyl]pyridine-3-carboxamide
SMILESCc1ccccc1[C@H]1C[C@@H](O)[C@@H](O)[C@@H]1NC(=O)c1cccnc1
InChIInChI=1S/C18H20N2O3/c1-11-5-2-3-7-13(11)14-9-15(21)17(22)16(14)20-18(23)12-6-4-8-19-10-12/h2-8,10,14-17,21-22H,9H2,1H3,(H,20,23)/t14-,15-,16-,17-/m1/s1
InChIKeyOWZNBEOWSOQITF-QBPKDAKJSA-N
XLogP1.40
TPSA82.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 51.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(1R,2S,3R,5R)-2,3-dihydroxy-5-(2-methylphenyl)cyclopentyl]pyridine-3-carboxamide?
The IUPAC name of N-[(1R,2S,3R,5R)-2,3-dihydroxy-5-(2-methylphenyl)cyclopentyl]pyridine-3-carboxamide (CID 71693760) is N-[(1R,2S,3R,5R)-2,3-dihydroxy-5-(2-methylphenyl)cyclopentyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[(1R,2S,3R,5R)-2,3-dihydroxy-5-(2-methylphenyl)cyclopentyl]pyridine-3-carboxamide?
The canonical SMILES for N-[(1R,2S,3R,5R)-2,3-dihydroxy-5-(2-methylphenyl)cyclopentyl]pyridine-3-carboxamide is Cc1ccccc1[C@H]1C[C@@H](O)[C@@H](O)[C@@H]1NC(=O)c1cccnc1.
What is the InChIKey of N-[(1R,2S,3R,5R)-2,3-dihydroxy-5-(2-methylphenyl)cyclopentyl]pyridine-3-carboxamide?
The InChIKey is OWZNBEOWSOQITF-QBPKDAKJSA-N. The full InChI is InChI=1S/C18H20N2O3/c1-11-5-2-3-7-13(11)14-9-15(21)17(22)16(14)20-18(23)12-6-4-8-19-10-12/h2-8,10,14-17,21-22H,9H2,1H3,(H,20,23)/t14-,15-,16-,17-/m1/s1.
What are the key properties of N-[(1R,2S,3R,5R)-2,3-dihydroxy-5-(2-methylphenyl)cyclopentyl]pyridine-3-carboxamide?
N-[(1R,2S,3R,5R)-2,3-dihydroxy-5-(2-methylphenyl)cyclopentyl]pyridine-3-carboxamide has a molecular weight of 312.37 g/mol, XLogP of 1.40, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2S,3R,5R)-2,3-dihydroxy-5-(2-methylphenyl)cyclopentyl]pyridine-3-carboxamide is sourced from PubChem (CID 71693760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).