N-cyclobutyl-5-[(3-methoxyphenyl)methyl]-N-methylpyridine-3-carboxamide

C19H22N2O2 — CID 110090827

IUPACN-cyclobutyl-5-[(3-methoxyphenyl)methyl]-N-methylpyridine-3-carboxamide
SMILESCOc1cccc(Cc2cncc(C(=O)N(C)C3CCC3)c2)c1
InChIInChI=1S/C19H22N2O2/c1-21(17-6-4-7-17)19(22)16-10-15(12-20-13-16)9-14-5-3-8-18(11-14)23-2/h3,5,8,10-13,17H,4,6-7,9H2,1-2H3
InChIKeyGMYKTKPALOIKEA-UHFFFAOYSA-N
MW310.40 g/mol
LogP3.31
Rot. Bonds5

About N-cyclobutyl-5-[(3-methoxyphenyl)methyl]-N-methylpyridine-3-carboxamide

N-cyclobutyl-5-[(3-methoxyphenyl)methyl]-N-methylpyridine-3-carboxamide (PubChem CID 110090827) has the molecular formula C19H22N2O2 and a molecular weight of 310.40 g/mol. Its IUPAC name is N-cyclobutyl-5-[(3-methoxyphenyl)methyl]-N-methylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-cyclobutyl-5-[(3-methoxyphenyl)methyl]-N-methylpyridine-3-carboxamide
PubChem CID110090827
Molecular FormulaC19H22N2O2
Molecular Weight310.40 g/mol
Exact Mass310.17
IUPAC NameN-cyclobutyl-5-[(3-methoxyphenyl)methyl]-N-methylpyridine-3-carboxamide
SMILESCOc1cccc(Cc2cncc(C(=O)N(C)C3CCC3)c2)c1
InChIInChI=1S/C19H22N2O2/c1-21(17-6-4-7-17)19(22)16-10-15(12-20-13-16)9-14-5-3-8-18(11-14)23-2/h3,5,8,10-13,17H,4,6-7,9H2,1-2H3
InChIKeyGMYKTKPALOIKEA-UHFFFAOYSA-N
XLogP3.31
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(3-methoxyphenyl)methyl]-N-methyl-N-(oxan-4-yl)pyridine-3-carboxamide
CID 110090895
N-cyclohexyl-5-[(2,6-dichlorophenoxy)methyl]-N-methylpyridine-3-carboxamide
CID 58211585
N-cyclohexyl-5-[(2,6-dichlorophenyl)sulfonylmethyl]-N-methylpyridine-3-carboxamide
CID 58210963
[(2R)-2-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-[5-[(3-methoxyphenyl)methyl]-3-pyridinyl]methanone
CID 129454739
3-[(3-methoxyphenyl)methyl]benzoic acid
CID 86242874
N-cyclopentyl-3,5-dimethoxy-N-methylbenzamide
CID 28566540
N-cyclohexyl-3-ethyl-N-methylbenzamide
CID 70929086
3-(chloromethyl)-N-cyclohexyl-N-methylbenzamide
CID 10611761
N-cyclopropyl-5-hydroxy-N-methylpyridine-3-carboxamide
CID 63865500
3-methoxy-N-methyl-N-[(4R)-1-[2-(4-methylpiperidin-1-yl)acetyl]azepan-4-yl]benzamide
CID 92631886
3-methoxy-N-methyl-N-pyrrolidin-3-ylbenzamide
CID 60806673
(2S)-N-cyclopentyl-2-(3-methoxyphenoxy)-N-methylpropanamide
CID 92683784

Frequently Asked Questions

What is the IUPAC name of N-cyclobutyl-5-[(3-methoxyphenyl)methyl]-N-methylpyridine-3-carboxamide?
The IUPAC name of N-cyclobutyl-5-[(3-methoxyphenyl)methyl]-N-methylpyridine-3-carboxamide (CID 110090827) is N-cyclobutyl-5-[(3-methoxyphenyl)methyl]-N-methylpyridine-3-carboxamide.
What is the SMILES notation for N-cyclobutyl-5-[(3-methoxyphenyl)methyl]-N-methylpyridine-3-carboxamide?
The canonical SMILES for N-cyclobutyl-5-[(3-methoxyphenyl)methyl]-N-methylpyridine-3-carboxamide is COc1cccc(Cc2cncc(C(=O)N(C)C3CCC3)c2)c1.
What is the InChIKey of N-cyclobutyl-5-[(3-methoxyphenyl)methyl]-N-methylpyridine-3-carboxamide?
The InChIKey is GMYKTKPALOIKEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O2/c1-21(17-6-4-7-17)19(22)16-10-15(12-20-13-16)9-14-5-3-8-18(11-14)23-2/h3,5,8,10-13,17H,4,6-7,9H2,1-2H3.
What are the key properties of N-cyclobutyl-5-[(3-methoxyphenyl)methyl]-N-methylpyridine-3-carboxamide?
N-cyclobutyl-5-[(3-methoxyphenyl)methyl]-N-methylpyridine-3-carboxamide has a molecular weight of 310.40 g/mol, XLogP of 3.31, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclobutyl-5-[(3-methoxyphenyl)methyl]-N-methylpyridine-3-carboxamide is sourced from PubChem (CID 110090827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).