(3R)-1-[[4-(hydroxymethyl)phenyl]methyl]-3,4-dihydro-2H-pyridine-3-carboxamide

C14H18N2O2 — CID 171714570

IUPAC(3R)-1-[[4-(hydroxymethyl)phenyl]methyl]-3,4-dihydro-2H-pyridine-3-carboxamide
SMILESNC(=O)[C@@H]1CC=CN(Cc2ccc(CO)cc2)C1
InChIInChI=1S/C14H18N2O2/c15-14(18)13-2-1-7-16(9-13)8-11-3-5-12(10-17)6-4-11/h1,3-7,13,17H,2,8-10H2,(H2,15,18)/t13-/m1/s1
InChIKeyPUBTZOARNMZXCV-CYBMUJFWSA-N
MW246.31 g/mol
LogP1.00
Rot. Bonds4

About (3R)-1-[[4-(hydroxymethyl)phenyl]methyl]-3,4-dihydro-2H-pyridine-3-carboxamide

(3R)-1-[[4-(hydroxymethyl)phenyl]methyl]-3,4-dihydro-2H-pyridine-3-carboxamide (PubChem CID 171714570) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is (3R)-1-[[4-(hydroxymethyl)phenyl]methyl]-3,4-dihydro-2H-pyridine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-[[4-(hydroxymethyl)phenyl]methyl]-3,4-dihydro-2H-pyridine-3-carboxamide
PubChem CID171714570
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Name(3R)-1-[[4-(hydroxymethyl)phenyl]methyl]-3,4-dihydro-2H-pyridine-3-carboxamide
SMILESNC(=O)[C@@H]1CC=CN(Cc2ccc(CO)cc2)C1
InChIInChI=1S/C14H18N2O2/c15-14(18)13-2-1-7-16(9-13)8-11-3-5-12(10-17)6-4-11/h1,3-7,13,17H,2,8-10H2,(H2,15,18)/t13-/m1/s1
InChIKeyPUBTZOARNMZXCV-CYBMUJFWSA-N
XLogP1.00
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-(Hydroxymethyl)benzyl)pyridin-2(1H)-one
CID 90280157
1-[[2-Fluoro-4-(hydroxymethyl)phenyl]methyl]-3,4-dihydropyridin-2-one
CID 144880705
1-[[4-(hydroxymethyl)phenyl]methyl]-4H-pyridine-3-carboxamide
CID 171714571
1-[[4-(hydroxymethyl)phenyl]methyl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 110009132
3-amino-N-[[3-fluoro-4-(hydroxymethyl)phenyl]methyl]propanamide
CID 119301144
N-[[3-fluoro-4-(hydroxymethyl)phenyl]methyl]piperidine-4-carboxamide
CID 119301148
N-[[3-fluoro-4-(hydroxymethyl)phenyl]methyl]piperidine-3-carboxamide
CID 119301158
4-amino-N-[[3-fluoro-4-(hydroxymethyl)phenyl]methyl]butanamide
CID 119301166
7-amino-N-[[3-fluoro-4-(hydroxymethyl)phenyl]methyl]heptanamide
CID 119744874
N-[[3-fluoro-4-(hydroxymethyl)phenyl]methyl]-4-(methylamino)butanamide
CID 119744878
N-[[3-fluoro-4-(hydroxymethyl)phenyl]methyl]-2-methyl-3-(methylamino)propanamide
CID 119744896
3-amino-N-[[3-fluoro-4-(hydroxymethyl)phenyl]methyl]butanamide
CID 119744904

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[[4-(hydroxymethyl)phenyl]methyl]-3,4-dihydro-2H-pyridine-3-carboxamide?
The IUPAC name of (3R)-1-[[4-(hydroxymethyl)phenyl]methyl]-3,4-dihydro-2H-pyridine-3-carboxamide (CID 171714570) is (3R)-1-[[4-(hydroxymethyl)phenyl]methyl]-3,4-dihydro-2H-pyridine-3-carboxamide.
What is the SMILES notation for (3R)-1-[[4-(hydroxymethyl)phenyl]methyl]-3,4-dihydro-2H-pyridine-3-carboxamide?
The canonical SMILES for (3R)-1-[[4-(hydroxymethyl)phenyl]methyl]-3,4-dihydro-2H-pyridine-3-carboxamide is NC(=O)[C@@H]1CC=CN(Cc2ccc(CO)cc2)C1.
What is the InChIKey of (3R)-1-[[4-(hydroxymethyl)phenyl]methyl]-3,4-dihydro-2H-pyridine-3-carboxamide?
The InChIKey is PUBTZOARNMZXCV-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H18N2O2/c15-14(18)13-2-1-7-16(9-13)8-11-3-5-12(10-17)6-4-11/h1,3-7,13,17H,2,8-10H2,(H2,15,18)/t13-/m1/s1.
What are the key properties of (3R)-1-[[4-(hydroxymethyl)phenyl]methyl]-3,4-dihydro-2H-pyridine-3-carboxamide?
(3R)-1-[[4-(hydroxymethyl)phenyl]methyl]-3,4-dihydro-2H-pyridine-3-carboxamide has a molecular weight of 246.31 g/mol, XLogP of 1.00, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[[4-(hydroxymethyl)phenyl]methyl]-3,4-dihydro-2H-pyridine-3-carboxamide is sourced from PubChem (CID 171714570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).