5-[(3-methoxyphenyl)methyl]-N-methyl-N-(oxan-4-yl)pyridine-3-carboxamide

C20H24N2O3 — CID 110090895

IUPAC5-[(3-methoxyphenyl)methyl]-N-methyl-N-(oxan-4-yl)pyridine-3-carboxamide
SMILESCOc1cccc(Cc2cncc(C(=O)N(C)C3CCOCC3)c2)c1
InChIInChI=1S/C20H24N2O3/c1-22(18-6-8-25-9-7-18)20(23)17-11-16(13-21-14-17)10-15-4-3-5-19(12-15)24-2/h3-5,11-14,18H,6-10H2,1-2H3
InChIKeyXBXOVYAVYDKBHC-UHFFFAOYSA-N
MW340.42 g/mol
LogP2.93
Rot. Bonds5

About 5-[(3-methoxyphenyl)methyl]-N-methyl-N-(oxan-4-yl)pyridine-3-carboxamide

5-[(3-methoxyphenyl)methyl]-N-methyl-N-(oxan-4-yl)pyridine-3-carboxamide (PubChem CID 110090895) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is 5-[(3-methoxyphenyl)methyl]-N-methyl-N-(oxan-4-yl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-[(3-methoxyphenyl)methyl]-N-methyl-N-(oxan-4-yl)pyridine-3-carboxamide
PubChem CID110090895
Molecular FormulaC20H24N2O3
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC Name5-[(3-methoxyphenyl)methyl]-N-methyl-N-(oxan-4-yl)pyridine-3-carboxamide
SMILESCOc1cccc(Cc2cncc(C(=O)N(C)C3CCOCC3)c2)c1
InChIInChI=1S/C20H24N2O3/c1-22(18-6-8-25-9-7-18)20(23)17-11-16(13-21-14-17)10-15-4-3-5-19(12-15)24-2/h3-5,11-14,18H,6-10H2,1-2H3
InChIKeyXBXOVYAVYDKBHC-UHFFFAOYSA-N
XLogP2.93
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclobutyl-5-[(3-methoxyphenyl)methyl]-N-methylpyridine-3-carboxamide
CID 110090827
3-(2-aminoethyl)-N-methyl-N-(oxan-4-yl)benzamide
CID 62591913
6-[(3-fluorophenyl)methyl]-N-methyl-N-(oxan-4-yl)pyridine-2-carboxamide
CID 110090893
N-cyclohexyl-5-[(2,6-dichlorophenoxy)methyl]-N-methylpyridine-3-carboxamide
CID 58211585
3-[(3-methoxyphenyl)methyl]benzoic acid
CID 86242874
[(2R)-2-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-[5-[(3-methoxyphenyl)methyl]-3-pyridinyl]methanone
CID 129454739
3-[[[methyl(oxan-4-yl)carbamoyl]amino]methyl]benzoic acid
CID 61202979
N-cyclohexyl-5-[(2,6-dichlorophenyl)sulfonylmethyl]-N-methylpyridine-3-carboxamide
CID 58210963
2-[3-[methyl(oxolan-3-yl)carbamoyl]phenoxy]acetic acid
CID 120691080
N-cyclopropyl-5-hydroxy-N-methylpyridine-3-carboxamide
CID 63865500
3,4-dihydroxy-N-methyl-N-(oxan-4-yl)benzamide
CID 103957367
6-amino-N-methyl-N-(oxan-4-yl)pyridine-3-carboxamide
CID 62156515

Frequently Asked Questions

What is the IUPAC name of 5-[(3-methoxyphenyl)methyl]-N-methyl-N-(oxan-4-yl)pyridine-3-carboxamide?
The IUPAC name of 5-[(3-methoxyphenyl)methyl]-N-methyl-N-(oxan-4-yl)pyridine-3-carboxamide (CID 110090895) is 5-[(3-methoxyphenyl)methyl]-N-methyl-N-(oxan-4-yl)pyridine-3-carboxamide.
What is the SMILES notation for 5-[(3-methoxyphenyl)methyl]-N-methyl-N-(oxan-4-yl)pyridine-3-carboxamide?
The canonical SMILES for 5-[(3-methoxyphenyl)methyl]-N-methyl-N-(oxan-4-yl)pyridine-3-carboxamide is COc1cccc(Cc2cncc(C(=O)N(C)C3CCOCC3)c2)c1.
What is the InChIKey of 5-[(3-methoxyphenyl)methyl]-N-methyl-N-(oxan-4-yl)pyridine-3-carboxamide?
The InChIKey is XBXOVYAVYDKBHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3/c1-22(18-6-8-25-9-7-18)20(23)17-11-16(13-21-14-17)10-15-4-3-5-19(12-15)24-2/h3-5,11-14,18H,6-10H2,1-2H3.
What are the key properties of 5-[(3-methoxyphenyl)methyl]-N-methyl-N-(oxan-4-yl)pyridine-3-carboxamide?
5-[(3-methoxyphenyl)methyl]-N-methyl-N-(oxan-4-yl)pyridine-3-carboxamide has a molecular weight of 340.42 g/mol, XLogP of 2.93, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-methoxyphenyl)methyl]-N-methyl-N-(oxan-4-yl)pyridine-3-carboxamide is sourced from PubChem (CID 110090895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).