N-[(1R)-3-hydroxy-1-phenylpropyl]-5,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide

C17H20N2O3 — CID 97117724

IUPACN-[(1R)-3-hydroxy-1-phenylpropyl]-5,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide
SMILESCc1cc(C(=O)N[C@H](CCO)c2ccccc2)c(=O)[nH]c1C
InChIInChI=1S/C17H20N2O3/c1-11-10-14(16(21)18-12(11)2)17(22)19-15(8-9-20)13-6-4-3-5-7-13/h3-7,10,15,20H,8-9H2,1-2H3,(H,18,21)(H,19,22)/t15-/m1/s1
InChIKeyHAUNGCODJHIYQA-OAHLLOKOSA-N
MW300.36 g/mol
LogP1.85
Rot. Bonds5

About N-[(1R)-3-hydroxy-1-phenylpropyl]-5,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide

N-[(1R)-3-hydroxy-1-phenylpropyl]-5,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide (PubChem CID 97117724) has the molecular formula C17H20N2O3 and a molecular weight of 300.36 g/mol. Its IUPAC name is N-[(1R)-3-hydroxy-1-phenylpropyl]-5,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(1R)-3-hydroxy-1-phenylpropyl]-5,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide
PubChem CID97117724
Molecular FormulaC17H20N2O3
Molecular Weight300.36 g/mol
Exact Mass300.15
IUPAC NameN-[(1R)-3-hydroxy-1-phenylpropyl]-5,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide
SMILESCc1cc(C(=O)N[C@H](CCO)c2ccccc2)c(=O)[nH]c1C
InChIInChI=1S/C17H20N2O3/c1-11-10-14(16(21)18-12(11)2)17(22)19-15(8-9-20)13-6-4-3-5-7-13/h3-7,10,15,20H,8-9H2,1-2H3,(H,18,21)(H,19,22)/t15-/m1/s1
InChIKeyHAUNGCODJHIYQA-OAHLLOKOSA-N
XLogP1.85
TPSA82.19 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 51.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-fluoro-N-(3-hydroxy-1-phenylpropyl)-3-methylbenzamide
CID 75496576
N-[(3R)-3-(furan-2-yl)-3-phenylpropyl]-5,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide
CID 97120628
[(1S)-3-hydroxy-1-phenylpropyl]carbamothioic S-acid
CID 142183585
5,6-dimethyl-N-[(2S)-octan-2-yl]-2-oxo-1H-pyridine-3-carboxamide
CID 125490337
2,4,5-trimethyl-N-[(1S)-3-methyl-1-phenylbutyl]benzamide
CID 100710084
N-(3-hydroxy-1-phenylpropyl)-2-methoxy-2-phenylacetamide
CID 110025911
N-(3-hydroxy-1-phenylpropyl)-2-phenylquinoline-4-carboxamide
CID 10714925
N-[3-hydroxy-1-(4-methylphenyl)propyl]-6-oxo-2-pyridin-3-yl-1H-pyrimidine-5-carboxamide
CID 72898375
N-(3-hydroxy-1-phenylpropyl)-2-sulfanylpropanamide
CID 149225632
N-[(1S)-2-hydroxy-1-phenylethyl]-2-oxo-1H-pyridine-3-carboxamide
CID 103945014
2-N-hydroxy-5-N-(3-hydroxy-1-phenylpropyl)thiophene-2,5-dicarboxamide
CID 10064609
(3R)-3-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]-3-phenylpropanoic acid
CID 99933375

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-3-hydroxy-1-phenylpropyl]-5,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-[(1R)-3-hydroxy-1-phenylpropyl]-5,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide (CID 97117724) is N-[(1R)-3-hydroxy-1-phenylpropyl]-5,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-[(1R)-3-hydroxy-1-phenylpropyl]-5,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-[(1R)-3-hydroxy-1-phenylpropyl]-5,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide is Cc1cc(C(=O)N[C@H](CCO)c2ccccc2)c(=O)[nH]c1C.
What is the InChIKey of N-[(1R)-3-hydroxy-1-phenylpropyl]-5,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide?
The InChIKey is HAUNGCODJHIYQA-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H20N2O3/c1-11-10-14(16(21)18-12(11)2)17(22)19-15(8-9-20)13-6-4-3-5-7-13/h3-7,10,15,20H,8-9H2,1-2H3,(H,18,21)(H,19,22)/t15-/m1/s1.
What are the key properties of N-[(1R)-3-hydroxy-1-phenylpropyl]-5,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide?
N-[(1R)-3-hydroxy-1-phenylpropyl]-5,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide has a molecular weight of 300.36 g/mol, XLogP of 1.85, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-3-hydroxy-1-phenylpropyl]-5,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 97117724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).