N-[[1-(hydroxymethyl)cyclopropyl]methyl]-1-(4-methoxyphenyl)-6-oxopyridine-3-carboxamide

C18H20N2O4 — CID 91954145

IUPACN-[[1-(hydroxymethyl)cyclopropyl]methyl]-1-(4-methoxyphenyl)-6-oxopyridine-3-carboxamide
SMILESCOc1ccc(-n2cc(C(=O)NCC3(CO)CC3)ccc2=O)cc1
InChIInChI=1S/C18H20N2O4/c1-24-15-5-3-14(4-6-15)20-10-13(2-7-16(20)22)17(23)19-11-18(12-21)8-9-18/h2-7,10,21H,8-9,11-12H2,1H3,(H,19,23)
InChIKeyRKRFYSHWKQRETC-UHFFFAOYSA-N
MW328.37 g/mol
LogP1.35
Rot. Bonds6

About N-[[1-(hydroxymethyl)cyclopropyl]methyl]-1-(4-methoxyphenyl)-6-oxopyridine-3-carboxamide

N-[[1-(hydroxymethyl)cyclopropyl]methyl]-1-(4-methoxyphenyl)-6-oxopyridine-3-carboxamide (PubChem CID 91954145) has the molecular formula C18H20N2O4 and a molecular weight of 328.37 g/mol. Its IUPAC name is N-[[1-(hydroxymethyl)cyclopropyl]methyl]-1-(4-methoxyphenyl)-6-oxopyridine-3-carboxamide.

Molecular Properties

Compound NameN-[[1-(hydroxymethyl)cyclopropyl]methyl]-1-(4-methoxyphenyl)-6-oxopyridine-3-carboxamide
PubChem CID91954145
Molecular FormulaC18H20N2O4
Molecular Weight328.37 g/mol
Exact Mass328.14
IUPAC NameN-[[1-(hydroxymethyl)cyclopropyl]methyl]-1-(4-methoxyphenyl)-6-oxopyridine-3-carboxamide
SMILESCOc1ccc(-n2cc(C(=O)NCC3(CO)CC3)ccc2=O)cc1
InChIInChI=1S/C18H20N2O4/c1-24-15-5-3-14(4-6-15)20-10-13(2-7-16(20)22)17(23)19-11-18(12-21)8-9-18/h2-7,10,21H,8-9,11-12H2,1H3,(H,19,23)
InChIKeyRKRFYSHWKQRETC-UHFFFAOYSA-N
XLogP1.35
TPSA80.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[[1-(4-methoxyphenyl)-6-oxopyridine-3-carbonyl]amino]acetate
CID 91945548
N-(2-hydroxypropyl)-1-(4-methoxyphenyl)-6-oxopyridine-3-carboxamide
CID 91955026
1-(4-methoxyphenyl)-6-oxo-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide
CID 91945572
1-(4-methoxyphenyl)-6-oxo-N-[[(2R)-oxolan-2-yl]methyl]pyridine-3-carboxamide
CID 97465078
N-[[1-(hydroxymethyl)cyclobutyl]methyl]-6-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 91954418
1-(4-methoxyphenyl)-6-oxo-N-(1,3-thiazol-2-ylmethyl)pyridine-3-carboxamide
CID 91954993
1-(4-methoxyphenyl)-6-oxo-N-pentan-2-ylpyridine-3-carboxamide
CID 91955057
N-cyclohexyl-1-(4-methoxyphenyl)-6-oxopyridine-3-carboxamide
CID 91945533
N-methoxy-1-(4-methoxyphenyl)-N-methyl-6-oxopyridine-3-carboxamide
CID 91955056
1-(4-fluorophenyl)-6-oxo-N-[(1-phenylcyclohexyl)methyl]pyridine-3-carboxamide
CID 91955095
3-amino-N-[[1-(hydroxymethyl)cyclopropyl]methyl]-5-methoxybenzamide
CID 115453958
N-[[1-(hydroxymethyl)cyclopropyl]methyl]-4-(trifluoromethoxy)benzamide
CID 71796851

Frequently Asked Questions

What is the IUPAC name of N-[[1-(hydroxymethyl)cyclopropyl]methyl]-1-(4-methoxyphenyl)-6-oxopyridine-3-carboxamide?
The IUPAC name of N-[[1-(hydroxymethyl)cyclopropyl]methyl]-1-(4-methoxyphenyl)-6-oxopyridine-3-carboxamide (CID 91954145) is N-[[1-(hydroxymethyl)cyclopropyl]methyl]-1-(4-methoxyphenyl)-6-oxopyridine-3-carboxamide.
What is the SMILES notation for N-[[1-(hydroxymethyl)cyclopropyl]methyl]-1-(4-methoxyphenyl)-6-oxopyridine-3-carboxamide?
The canonical SMILES for N-[[1-(hydroxymethyl)cyclopropyl]methyl]-1-(4-methoxyphenyl)-6-oxopyridine-3-carboxamide is COc1ccc(-n2cc(C(=O)NCC3(CO)CC3)ccc2=O)cc1.
What is the InChIKey of N-[[1-(hydroxymethyl)cyclopropyl]methyl]-1-(4-methoxyphenyl)-6-oxopyridine-3-carboxamide?
The InChIKey is RKRFYSHWKQRETC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O4/c1-24-15-5-3-14(4-6-15)20-10-13(2-7-16(20)22)17(23)19-11-18(12-21)8-9-18/h2-7,10,21H,8-9,11-12H2,1H3,(H,19,23).
What are the key properties of N-[[1-(hydroxymethyl)cyclopropyl]methyl]-1-(4-methoxyphenyl)-6-oxopyridine-3-carboxamide?
N-[[1-(hydroxymethyl)cyclopropyl]methyl]-1-(4-methoxyphenyl)-6-oxopyridine-3-carboxamide has a molecular weight of 328.37 g/mol, XLogP of 1.35, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(hydroxymethyl)cyclopropyl]methyl]-1-(4-methoxyphenyl)-6-oxopyridine-3-carboxamide is sourced from PubChem (CID 91954145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).