N-(3-hydroxypropyl)-2,6-dimethyl-N-[(4-methylphenyl)methyl]pyridine-4-carboxamide

C19H24N2O2 — CID 77096489

IUPACN-(3-hydroxypropyl)-2,6-dimethyl-N-[(4-methylphenyl)methyl]pyridine-4-carboxamide
SMILESCc1ccc(CN(CCCO)C(=O)c2cc(C)nc(C)c2)cc1
InChIInChI=1S/C19H24N2O2/c1-14-5-7-17(8-6-14)13-21(9-4-10-22)19(23)18-11-15(2)20-16(3)12-18/h5-8,11-12,22H,4,9-10,13H2,1-3H3
InChIKeyWXPSBKUSVZPYQR-UHFFFAOYSA-N
MW312.41 g/mol
LogP3.03
Rot. Bonds6

About N-(3-hydroxypropyl)-2,6-dimethyl-N-[(4-methylphenyl)methyl]pyridine-4-carboxamide

N-(3-hydroxypropyl)-2,6-dimethyl-N-[(4-methylphenyl)methyl]pyridine-4-carboxamide (PubChem CID 77096489) has the molecular formula C19H24N2O2 and a molecular weight of 312.41 g/mol. Its IUPAC name is N-(3-hydroxypropyl)-2,6-dimethyl-N-[(4-methylphenyl)methyl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(3-hydroxypropyl)-2,6-dimethyl-N-[(4-methylphenyl)methyl]pyridine-4-carboxamide
PubChem CID77096489
Molecular FormulaC19H24N2O2
Molecular Weight312.41 g/mol
Exact Mass312.18
IUPAC NameN-(3-hydroxypropyl)-2,6-dimethyl-N-[(4-methylphenyl)methyl]pyridine-4-carboxamide
SMILESCc1ccc(CN(CCCO)C(=O)c2cc(C)nc(C)c2)cc1
InChIInChI=1S/C19H24N2O2/c1-14-5-7-17(8-6-14)13-21(9-4-10-22)19(23)18-11-15(2)20-16(3)12-18/h5-8,11-12,22H,4,9-10,13H2,1-3H3
InChIKeyWXPSBKUSVZPYQR-UHFFFAOYSA-N
XLogP3.03
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-methoxypropyl)-2,6-dimethyl-N-[(4-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 131945864
N-(3-aminopropyl)-N-benzyl-4-methylbenzamide
CID 107365954
N,4-diethyl-N-(3-hydroxypropyl)benzamide
CID 115771638
N-butyl-N-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]-4-methylbenzamide
CID 50749195
N-[(4-methoxyphenyl)methyl]-2,6-dimethyl-N-[[(2R)-oxolan-2-yl]methyl]pyridine-4-carboxamide
CID 99940692
N-(3-hydroxypropyl)-4-methoxy-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide
CID 3193899
4-butyl-N-ethyl-N-(3-hydroxypropyl)benzamide
CID 115772047
6-fluoro-N-[(4-methylphenyl)methyl]-N-propylpyridine-3-carboxamide
CID 63973383
1-(2-hydroxyethyl)-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-[(4-methylphenyl)methyl]urea
CID 84600281
2-chloro-N-(2-methoxyethyl)-N-[(4-methylphenyl)methyl]pyridine-4-carboxamide
CID 46988777
N'-benzyl-N'-(2-hydroxyethyl)-N-[(4-methylphenyl)methyl]oxamide
CID 108518112
N-[(4-aminophenyl)methyl]-N-ethyl-4-methylbenzamide
CID 43458748

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxypropyl)-2,6-dimethyl-N-[(4-methylphenyl)methyl]pyridine-4-carboxamide?
The IUPAC name of N-(3-hydroxypropyl)-2,6-dimethyl-N-[(4-methylphenyl)methyl]pyridine-4-carboxamide (CID 77096489) is N-(3-hydroxypropyl)-2,6-dimethyl-N-[(4-methylphenyl)methyl]pyridine-4-carboxamide.
What is the SMILES notation for N-(3-hydroxypropyl)-2,6-dimethyl-N-[(4-methylphenyl)methyl]pyridine-4-carboxamide?
The canonical SMILES for N-(3-hydroxypropyl)-2,6-dimethyl-N-[(4-methylphenyl)methyl]pyridine-4-carboxamide is Cc1ccc(CN(CCCO)C(=O)c2cc(C)nc(C)c2)cc1.
What is the InChIKey of N-(3-hydroxypropyl)-2,6-dimethyl-N-[(4-methylphenyl)methyl]pyridine-4-carboxamide?
The InChIKey is WXPSBKUSVZPYQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2/c1-14-5-7-17(8-6-14)13-21(9-4-10-22)19(23)18-11-15(2)20-16(3)12-18/h5-8,11-12,22H,4,9-10,13H2,1-3H3.
What are the key properties of N-(3-hydroxypropyl)-2,6-dimethyl-N-[(4-methylphenyl)methyl]pyridine-4-carboxamide?
N-(3-hydroxypropyl)-2,6-dimethyl-N-[(4-methylphenyl)methyl]pyridine-4-carboxamide has a molecular weight of 312.41 g/mol, XLogP of 3.03, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxypropyl)-2,6-dimethyl-N-[(4-methylphenyl)methyl]pyridine-4-carboxamide is sourced from PubChem (CID 77096489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).