N-[(2R)-2-hydroxy-3-[(1S)-1-phenylethoxy]propyl]pyridine-3-carboxamide

C17H20N2O3 — CID 96538610

IUPACN-[(2R)-2-hydroxy-3-[(1S)-1-phenylethoxy]propyl]pyridine-3-carboxamide
SMILESC[C@H](OC[C@H](O)CNC(=O)c1cccnc1)c1ccccc1
InChIInChI=1S/C17H20N2O3/c1-13(14-6-3-2-4-7-14)22-12-16(20)11-19-17(21)15-8-5-9-18-10-15/h2-10,13,16,20H,11-12H2,1H3,(H,19,21)/t13-,16+/m0/s1
InChIKeyQISAQMPZPPSMNZ-XJKSGUPXSA-N
MW300.36 g/mol
LogP1.95
Rot. Bonds7

About N-[(2R)-2-hydroxy-3-[(1S)-1-phenylethoxy]propyl]pyridine-3-carboxamide

N-[(2R)-2-hydroxy-3-[(1S)-1-phenylethoxy]propyl]pyridine-3-carboxamide (PubChem CID 96538610) has the molecular formula C17H20N2O3 and a molecular weight of 300.36 g/mol. Its IUPAC name is N-[(2R)-2-hydroxy-3-[(1S)-1-phenylethoxy]propyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(2R)-2-hydroxy-3-[(1S)-1-phenylethoxy]propyl]pyridine-3-carboxamide
PubChem CID96538610
Molecular FormulaC17H20N2O3
Molecular Weight300.36 g/mol
Exact Mass300.15
IUPAC NameN-[(2R)-2-hydroxy-3-[(1S)-1-phenylethoxy]propyl]pyridine-3-carboxamide
SMILESC[C@H](OC[C@H](O)CNC(=O)c1cccnc1)c1ccccc1
InChIInChI=1S/C17H20N2O3/c1-13(14-6-3-2-4-7-14)22-12-16(20)11-19-17(21)15-8-5-9-18-10-15/h2-10,13,16,20H,11-12H2,1H3,(H,19,21)/t13-,16+/m0/s1
InChIKeyQISAQMPZPPSMNZ-XJKSGUPXSA-N
XLogP1.95
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-phenylpropyl)pyridine-3-carboxamide
CID 46446505
2-methyl-3-(pyridine-3-carbonylamino)propanoic acid
CID 53211442
N-[(2S)-2-hydroxypropyl]pyridine-3-carboxamide
CID 39237258
N-[3-(dimethylamino)-2-hydroxypropyl]pyridine-3-carboxamide
CID 110281404
N-(propan-2-yloxymethyl)pyridine-3-carboxamide
CID 3794279
N-(2-phenyl-2-pyridin-2-ylethyl)pyridine-3-carboxamide
CID 110362884
N-[(2R)-2-hydroxy-3-[(1R)-1-phenylethoxy]propyl]-5-methylthiophene-2-carboxamide
CID 94800112
phenyl (2S,3R)-3-hydroxy-2-[(pyridine-3-carbonylamino)methyl]butanoate
CID 164711213
methyl 2-hydroxy-3-(pyridine-3-carbonylamino)propanoate
CID 103879213
N-[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-2-phenylethyl]pyridine-3-carboxamide
CID 146220042
N-[2-hydroxy-3-[(4-methoxyphenyl)methoxy]propyl]pyridine-3-carboxamide
CID 51094308
N-[2-[[N-ethyl-N'-[3-(1-phenylethoxy)propyl]carbamimidoyl]amino]ethyl]pyridine-3-carboxamide
CID 111403093

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-hydroxy-3-[(1S)-1-phenylethoxy]propyl]pyridine-3-carboxamide?
The IUPAC name of N-[(2R)-2-hydroxy-3-[(1S)-1-phenylethoxy]propyl]pyridine-3-carboxamide (CID 96538610) is N-[(2R)-2-hydroxy-3-[(1S)-1-phenylethoxy]propyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[(2R)-2-hydroxy-3-[(1S)-1-phenylethoxy]propyl]pyridine-3-carboxamide?
The canonical SMILES for N-[(2R)-2-hydroxy-3-[(1S)-1-phenylethoxy]propyl]pyridine-3-carboxamide is C[C@H](OC[C@H](O)CNC(=O)c1cccnc1)c1ccccc1.
What is the InChIKey of N-[(2R)-2-hydroxy-3-[(1S)-1-phenylethoxy]propyl]pyridine-3-carboxamide?
The InChIKey is QISAQMPZPPSMNZ-XJKSGUPXSA-N. The full InChI is InChI=1S/C17H20N2O3/c1-13(14-6-3-2-4-7-14)22-12-16(20)11-19-17(21)15-8-5-9-18-10-15/h2-10,13,16,20H,11-12H2,1H3,(H,19,21)/t13-,16+/m0/s1.
What are the key properties of N-[(2R)-2-hydroxy-3-[(1S)-1-phenylethoxy]propyl]pyridine-3-carboxamide?
N-[(2R)-2-hydroxy-3-[(1S)-1-phenylethoxy]propyl]pyridine-3-carboxamide has a molecular weight of 300.36 g/mol, XLogP of 1.95, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-hydroxy-3-[(1S)-1-phenylethoxy]propyl]pyridine-3-carboxamide is sourced from PubChem (CID 96538610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).