N-[[(2R,5S)-5-carbamoyloxolan-2-yl]methyl]-5-phenyl-3,6-dihydro-2H-pyridine-1-carboxamide

C18H23N3O3 — CID 124843428

IUPACN-[[(2R,5S)-5-carbamoyloxolan-2-yl]methyl]-5-phenyl-3,6-dihydro-2H-pyridine-1-carboxamide
SMILESNC(=O)[C@@H]1CC[C@H](CNC(=O)N2CCC=C(c3ccccc3)C2)O1
InChIInChI=1S/C18H23N3O3/c19-17(22)16-9-8-15(24-16)11-20-18(23)21-10-4-7-14(12-21)13-5-2-1-3-6-13/h1-3,5-7,15-16H,4,8-12H2,(H2,19,22)(H,20,23)/t15-,16+/m1/s1
InChIKeyDRMLAQIHJNKOFC-CVEARBPZSA-N
MW329.40 g/mol
LogP1.52
Rot. Bonds4

About N-[[(2R,5S)-5-carbamoyloxolan-2-yl]methyl]-5-phenyl-3,6-dihydro-2H-pyridine-1-carboxamide

N-[[(2R,5S)-5-carbamoyloxolan-2-yl]methyl]-5-phenyl-3,6-dihydro-2H-pyridine-1-carboxamide (PubChem CID 124843428) has the molecular formula C18H23N3O3 and a molecular weight of 329.40 g/mol. Its IUPAC name is N-[[(2R,5S)-5-carbamoyloxolan-2-yl]methyl]-5-phenyl-3,6-dihydro-2H-pyridine-1-carboxamide.

Molecular Properties

Compound NameN-[[(2R,5S)-5-carbamoyloxolan-2-yl]methyl]-5-phenyl-3,6-dihydro-2H-pyridine-1-carboxamide
PubChem CID124843428
Molecular FormulaC18H23N3O3
Molecular Weight329.40 g/mol
Exact Mass329.17
IUPAC NameN-[[(2R,5S)-5-carbamoyloxolan-2-yl]methyl]-5-phenyl-3,6-dihydro-2H-pyridine-1-carboxamide
SMILESNC(=O)[C@@H]1CC[C@H](CNC(=O)N2CCC=C(c3ccccc3)C2)O1
InChIInChI=1S/C18H23N3O3/c19-17(22)16-9-8-15(24-16)11-20-18(23)21-10-4-7-14(12-21)13-5-2-1-3-6-13/h1-3,5-7,15-16H,4,8-12H2,(H2,19,22)(H,20,23)/t15-,16+/m1/s1
InChIKeyDRMLAQIHJNKOFC-CVEARBPZSA-N
XLogP1.52
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[[(2R,5S)-5-carbamoyloxolan-2-yl]methyl]-5-phenyl-3,6-dihydro-2H-pyridine-1-carboxamide with MolForge

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Related Compounds

6-tert-butyl-N-[(5-carbamoyloxolan-2-yl)methyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 102559647
oxiran-2-yl-(5-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone
CID 154880066
N-[2-(2-cyclopropylpyrimidin-5-yl)ethyl]-5-phenyl-3,6-dihydro-2H-pyridine-1-carboxamide
CID 100641585
N-[(5-carbamoyloxolan-2-yl)methyl]-4-azatricyclo[5.2.2.02,6]undec-8-ene-4-carboxamide
CID 128611490
5-[[(2-aminobenzoyl)amino]methyl]oxolane-2-carboxamide
CID 119946036
5-[[[(2S)-2-amino-3-phenylpropanoyl]amino]methyl]oxolane-2-carboxamide;hydrochloride
CID 119345646
N-[2-(1,1-dioxothiolan-3-yl)pyrazol-3-yl]-5-phenyl-3,6-dihydro-2H-pyridine-1-carboxamide
CID 167967168
(2R,5R)-5-[[[2-[2-(trifluoromethyl)phenyl]acetyl]amino]methyl]oxolane-2-carboxamide
CID 97225759
(2S,5S)-5-[[[2-(2,3-dichlorophenyl)acetyl]amino]methyl]oxolane-2-carboxamide
CID 129403186
5-[[[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]amino]methyl]oxolane-2-carboxylic acid
CID 104959546
(2S,5S)-5-[[4-(2-methylphenoxy)butanoylamino]methyl]oxolane-2-carboxamide
CID 97007840
N-(oxolan-2-ylmethyl)-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide
CID 53185476

Frequently Asked Questions

What is the IUPAC name of N-[[(2R,5S)-5-carbamoyloxolan-2-yl]methyl]-5-phenyl-3,6-dihydro-2H-pyridine-1-carboxamide?
The IUPAC name of N-[[(2R,5S)-5-carbamoyloxolan-2-yl]methyl]-5-phenyl-3,6-dihydro-2H-pyridine-1-carboxamide (CID 124843428) is N-[[(2R,5S)-5-carbamoyloxolan-2-yl]methyl]-5-phenyl-3,6-dihydro-2H-pyridine-1-carboxamide.
What is the SMILES notation for N-[[(2R,5S)-5-carbamoyloxolan-2-yl]methyl]-5-phenyl-3,6-dihydro-2H-pyridine-1-carboxamide?
The canonical SMILES for N-[[(2R,5S)-5-carbamoyloxolan-2-yl]methyl]-5-phenyl-3,6-dihydro-2H-pyridine-1-carboxamide is NC(=O)[C@@H]1CC[C@H](CNC(=O)N2CCC=C(c3ccccc3)C2)O1.
What is the InChIKey of N-[[(2R,5S)-5-carbamoyloxolan-2-yl]methyl]-5-phenyl-3,6-dihydro-2H-pyridine-1-carboxamide?
The InChIKey is DRMLAQIHJNKOFC-CVEARBPZSA-N. The full InChI is InChI=1S/C18H23N3O3/c19-17(22)16-9-8-15(24-16)11-20-18(23)21-10-4-7-14(12-21)13-5-2-1-3-6-13/h1-3,5-7,15-16H,4,8-12H2,(H2,19,22)(H,20,23)/t15-,16+/m1/s1.
What are the key properties of N-[[(2R,5S)-5-carbamoyloxolan-2-yl]methyl]-5-phenyl-3,6-dihydro-2H-pyridine-1-carboxamide?
N-[[(2R,5S)-5-carbamoyloxolan-2-yl]methyl]-5-phenyl-3,6-dihydro-2H-pyridine-1-carboxamide has a molecular weight of 329.40 g/mol, XLogP of 1.52, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R,5S)-5-carbamoyloxolan-2-yl]methyl]-5-phenyl-3,6-dihydro-2H-pyridine-1-carboxamide is sourced from PubChem (CID 124843428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).