N-[4-[2-(cyclopropylamino)-2-oxoethyl]phenyl]-2-methoxypyridine-4-carboxamide

C18H19N3O3 — CID 131925834

IUPACN-[4-[2-(cyclopropylamino)-2-oxoethyl]phenyl]-2-methoxypyridine-4-carboxamide
SMILESCOc1cc(C(=O)Nc2ccc(CC(=O)NC3CC3)cc2)ccn1
InChIInChI=1S/C18H19N3O3/c1-24-17-11-13(8-9-19-17)18(23)21-15-4-2-12(3-5-15)10-16(22)20-14-6-7-14/h2-5,8-9,11,14H,6-7,10H2,1H3,(H,20,22)(H,21,23)
InChIKeyJGJVILOHNAHRAV-UHFFFAOYSA-N
MW325.37 g/mol
LogP2.16
Rot. Bonds6

About N-[4-[2-(cyclopropylamino)-2-oxoethyl]phenyl]-2-methoxypyridine-4-carboxamide

N-[4-[2-(cyclopropylamino)-2-oxoethyl]phenyl]-2-methoxypyridine-4-carboxamide (PubChem CID 131925834) has the molecular formula C18H19N3O3 and a molecular weight of 325.37 g/mol. Its IUPAC name is N-[4-[2-(cyclopropylamino)-2-oxoethyl]phenyl]-2-methoxypyridine-4-carboxamide.

Molecular Properties

Compound NameN-[4-[2-(cyclopropylamino)-2-oxoethyl]phenyl]-2-methoxypyridine-4-carboxamide
PubChem CID131925834
Molecular FormulaC18H19N3O3
Molecular Weight325.37 g/mol
Exact Mass325.14
IUPAC NameN-[4-[2-(cyclopropylamino)-2-oxoethyl]phenyl]-2-methoxypyridine-4-carboxamide
SMILESCOc1cc(C(=O)Nc2ccc(CC(=O)NC3CC3)cc2)ccn1
InChIInChI=1S/C18H19N3O3/c1-24-17-11-13(8-9-19-17)18(23)21-15-4-2-12(3-5-15)10-16(22)20-14-6-7-14/h2-5,8-9,11,14H,6-7,10H2,1H3,(H,20,22)(H,21,23)
InChIKeyJGJVILOHNAHRAV-UHFFFAOYSA-N
XLogP2.16
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclohexyl-2-methoxypyridine-4-carboxamide
CID 110848962
N-[4-(cyclopropylcarbamoyl)phenyl]-6-methoxypyridine-3-carboxamide
CID 51300111
N-(4-bromo-3-methylphenyl)-2-methoxypyridine-4-carboxamide
CID 110863112
2-methoxy-N-pyridin-3-ylpyridine-4-carboxamide
CID 84580431
N-[4-[2-(cyclopropylamino)-2-oxoethyl]phenyl]-1-methyl-6-oxopyridine-3-carboxamide
CID 131895570
2-methoxy-N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]pyridine-4-carboxamide
CID 163378766
2-methoxy-N-(2-methylcyclohexyl)pyridine-4-carboxamide
CID 59355726
N-[4-(cyclopropylcarbamoyl)phenyl]-3-ethoxy-4-methoxybenzamide
CID 51299958
N-cycloheptyl-2-[(2-methoxy-4-pyridinyl)methylamino]acetamide
CID 62989722
2-N-cyclohexyl-4-N-(3,4-dimethoxyphenyl)pyridine-2,4-dicarboxamide
CID 109081613
4-(cyclopropanecarbonylamino)-N-[(2-methoxy-4-pyridinyl)methyl]benzamide
CID 18167280
2-bromo-N-(4-ethylphenyl)pyridine-4-carboxamide
CID 113255068

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(cyclopropylamino)-2-oxoethyl]phenyl]-2-methoxypyridine-4-carboxamide?
The IUPAC name of N-[4-[2-(cyclopropylamino)-2-oxoethyl]phenyl]-2-methoxypyridine-4-carboxamide (CID 131925834) is N-[4-[2-(cyclopropylamino)-2-oxoethyl]phenyl]-2-methoxypyridine-4-carboxamide.
What is the SMILES notation for N-[4-[2-(cyclopropylamino)-2-oxoethyl]phenyl]-2-methoxypyridine-4-carboxamide?
The canonical SMILES for N-[4-[2-(cyclopropylamino)-2-oxoethyl]phenyl]-2-methoxypyridine-4-carboxamide is COc1cc(C(=O)Nc2ccc(CC(=O)NC3CC3)cc2)ccn1.
What is the InChIKey of N-[4-[2-(cyclopropylamino)-2-oxoethyl]phenyl]-2-methoxypyridine-4-carboxamide?
The InChIKey is JGJVILOHNAHRAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O3/c1-24-17-11-13(8-9-19-17)18(23)21-15-4-2-12(3-5-15)10-16(22)20-14-6-7-14/h2-5,8-9,11,14H,6-7,10H2,1H3,(H,20,22)(H,21,23).
What are the key properties of N-[4-[2-(cyclopropylamino)-2-oxoethyl]phenyl]-2-methoxypyridine-4-carboxamide?
N-[4-[2-(cyclopropylamino)-2-oxoethyl]phenyl]-2-methoxypyridine-4-carboxamide has a molecular weight of 325.37 g/mol, XLogP of 2.16, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(cyclopropylamino)-2-oxoethyl]phenyl]-2-methoxypyridine-4-carboxamide is sourced from PubChem (CID 131925834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).