(2R,3R)-N-[[6-methyl-2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]-2-phenyloxane-3-carboxamide

C21H23N5O2 — CID 99794372

IUPAC(2R,3R)-N-[[6-methyl-2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]-2-phenyloxane-3-carboxamide
SMILESCc1ccc(CNC(=O)[C@@H]2CCCO[C@H]2c2ccccc2)c(-n2cncn2)n1
InChIInChI=1S/C21H23N5O2/c1-15-9-10-17(20(25-15)26-14-22-13-24-26)12-23-21(27)18-8-5-11-28-19(18)16-6-3-2-4-7-16/h2-4,6-7,9-10,13-14,18-19H,5,8,11-12H2,1H3,(H,23,27)/t18-,19+/m1/s1
InChIKeyPMRBNPVIQXTPCZ-MOPGFXCFSA-N
MW377.45 g/mol
LogP2.75
Rot. Bonds5

About (2R,3R)-N-[[6-methyl-2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]-2-phenyloxane-3-carboxamide

(2R,3R)-N-[[6-methyl-2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]-2-phenyloxane-3-carboxamide (PubChem CID 99794372) has the molecular formula C21H23N5O2 and a molecular weight of 377.45 g/mol. Its IUPAC name is (2R,3R)-N-[[6-methyl-2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]-2-phenyloxane-3-carboxamide.

Molecular Properties

Compound Name(2R,3R)-N-[[6-methyl-2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]-2-phenyloxane-3-carboxamide
PubChem CID99794372
Molecular FormulaC21H23N5O2
Molecular Weight377.45 g/mol
Exact Mass377.19
IUPAC Name(2R,3R)-N-[[6-methyl-2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]-2-phenyloxane-3-carboxamide
SMILESCc1ccc(CNC(=O)[C@@H]2CCCO[C@H]2c2ccccc2)c(-n2cncn2)n1
InChIInChI=1S/C21H23N5O2/c1-15-9-10-17(20(25-15)26-14-22-13-24-26)12-23-21(27)18-8-5-11-28-19(18)16-6-3-2-4-7-16/h2-4,6-7,9-10,13-14,18-19H,5,8,11-12H2,1H3,(H,23,27)/t18-,19+/m1/s1
InChIKeyPMRBNPVIQXTPCZ-MOPGFXCFSA-N
XLogP2.75
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.45
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (2R,3R)-N-[[6-methyl-2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]-2-phenyloxane-3-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

2-methyl-5-[[[(2R,3R)-2-phenyloxane-3-carbonyl]amino]methyl]furan-3-carboxylic acid
CID 125148950
(2R,3R)-N-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]-2-phenyloxolane-3-carboxamide
CID 136587872
(2S,3S)-N-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]-2-phenyloxolane-3-carboxamide
CID 164630958
2-[(2R)-oxolan-2-yl]-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]acetamide
CID 94026509
3-phenyl-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]pyrrolidine-1-carboxamide
CID 56822123
2-[[(2S,3S)-2-(4-methylphenyl)oxane-3-carbonyl]amino]acetic acid
CID 125151438
(2R,3R)-2-methyl-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]oxane-3-carboxamide
CID 129401715
(2R,3S)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-phenyloxane-3-carboxamide
CID 97067524
5-[(2-phenyloxane-3-carbonyl)amino]pentanoic acid
CID 119235243
N-(2-amino-2-cyclopropylethyl)-2-phenyloxane-3-carboxamide
CID 115301019
2-phenyl-N-(piperidin-3-ylmethyl)oxane-3-carboxamide
CID 119461037
N-[2-(4-aminophenyl)ethyl]-2-phenyloxane-3-carboxamide;hydrochloride
CID 119548045

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-N-[[6-methyl-2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]-2-phenyloxane-3-carboxamide?
The IUPAC name of (2R,3R)-N-[[6-methyl-2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]-2-phenyloxane-3-carboxamide (CID 99794372) is (2R,3R)-N-[[6-methyl-2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]-2-phenyloxane-3-carboxamide.
What is the SMILES notation for (2R,3R)-N-[[6-methyl-2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]-2-phenyloxane-3-carboxamide?
The canonical SMILES for (2R,3R)-N-[[6-methyl-2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]-2-phenyloxane-3-carboxamide is Cc1ccc(CNC(=O)[C@@H]2CCCO[C@H]2c2ccccc2)c(-n2cncn2)n1.
What is the InChIKey of (2R,3R)-N-[[6-methyl-2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]-2-phenyloxane-3-carboxamide?
The InChIKey is PMRBNPVIQXTPCZ-MOPGFXCFSA-N. The full InChI is InChI=1S/C21H23N5O2/c1-15-9-10-17(20(25-15)26-14-22-13-24-26)12-23-21(27)18-8-5-11-28-19(18)16-6-3-2-4-7-16/h2-4,6-7,9-10,13-14,18-19H,5,8,11-12H2,1H3,(H,23,27)/t18-,19+/m1/s1.
What are the key properties of (2R,3R)-N-[[6-methyl-2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]-2-phenyloxane-3-carboxamide?
(2R,3R)-N-[[6-methyl-2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]-2-phenyloxane-3-carboxamide has a molecular weight of 377.45 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-N-[[6-methyl-2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]-2-phenyloxane-3-carboxamide is sourced from PubChem (CID 99794372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).