N-[2-(2-methoxyanilino)-2-oxoethyl]-N-propylpyridine-4-carboxamide

C18H21N3O3 — CID 2532614

IUPACN-[2-(2-methoxyanilino)-2-oxoethyl]-N-propylpyridine-4-carboxamide
SMILESCCCN(CC(=O)Nc1ccccc1OC)C(=O)c1ccncc1
InChIInChI=1S/C18H21N3O3/c1-3-12-21(18(23)14-8-10-19-11-9-14)13-17(22)20-15-6-4-5-7-16(15)24-2/h4-11H,3,12-13H2,1-2H3,(H,20,22)
InChIKeyYEOLCFFQNYTITF-UHFFFAOYSA-N
MW327.38 g/mol
LogP2.58
Rot. Bonds7

About N-[2-(2-methoxyanilino)-2-oxoethyl]-N-propylpyridine-4-carboxamide

N-[2-(2-methoxyanilino)-2-oxoethyl]-N-propylpyridine-4-carboxamide (PubChem CID 2532614) has the molecular formula C18H21N3O3 and a molecular weight of 327.38 g/mol. Its IUPAC name is N-[2-(2-methoxyanilino)-2-oxoethyl]-N-propylpyridine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(2-methoxyanilino)-2-oxoethyl]-N-propylpyridine-4-carboxamide
PubChem CID2532614
Molecular FormulaC18H21N3O3
Molecular Weight327.38 g/mol
Exact Mass327.16
IUPAC NameN-[2-(2-methoxyanilino)-2-oxoethyl]-N-propylpyridine-4-carboxamide
SMILESCCCN(CC(=O)Nc1ccccc1OC)C(=O)c1ccncc1
InChIInChI=1S/C18H21N3O3/c1-3-12-21(18(23)14-8-10-19-11-9-14)13-17(22)20-15-6-4-5-7-16(15)24-2/h4-11H,3,12-13H2,1-2H3,(H,20,22)
InChIKeyYEOLCFFQNYTITF-UHFFFAOYSA-N
XLogP2.58
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]pyridine-2-carboxamide
CID 45560410
N-{2-(4-Methoxy-phenyl)-1-[(pyridin-3-ylmethyl)-carbamoyl]-vinyl}-benzamide
CID 5442665
N-(4-(4-(2-methoxyphenyl)piperazin-1-yl)butyl)-4-pyridin-2-ylbenzamide
CID 44427818
6-(2-methoxyphenyl)-5H-pyrrolo[3,4-b]pyridine-5,7(6H)-dione
CID 699158
2-(4-Methylphenoxy)-1-[4-(pyridine-4-carbonyl)piperazin-1-yl]ethanone
CID 717251
N-(2-Methoxy-phenyl)-3-[(pyridine-2-carbonyl)-hydrazono]-butyramide
CID 9592392
N-[2-(4-methoxyphenyl)ethyl]-1-methyl-2-pyrrolecarboxamide
CID 24820011
3-methoxy-N-(pyridin-3-yl)benzamide
CID 777049
N-(4-methoxyphenyl)-2-pyridinecarboxamide
CID 821516
N-(4-methoxyphenyl)pyridine-3-carboxamide
CID 532821
N-(2,5-dimethoxyphenyl)nicotinamide
CID 532822
N-[(4-methoxyphenyl)methyl]pyridine-4-carboxamide
CID 2303641

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methoxyanilino)-2-oxoethyl]-N-propylpyridine-4-carboxamide?
The IUPAC name of N-[2-(2-methoxyanilino)-2-oxoethyl]-N-propylpyridine-4-carboxamide (CID 2532614) is N-[2-(2-methoxyanilino)-2-oxoethyl]-N-propylpyridine-4-carboxamide.
What is the SMILES notation for N-[2-(2-methoxyanilino)-2-oxoethyl]-N-propylpyridine-4-carboxamide?
The canonical SMILES for N-[2-(2-methoxyanilino)-2-oxoethyl]-N-propylpyridine-4-carboxamide is CCCN(CC(=O)Nc1ccccc1OC)C(=O)c1ccncc1.
What is the InChIKey of N-[2-(2-methoxyanilino)-2-oxoethyl]-N-propylpyridine-4-carboxamide?
The InChIKey is YEOLCFFQNYTITF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O3/c1-3-12-21(18(23)14-8-10-19-11-9-14)13-17(22)20-15-6-4-5-7-16(15)24-2/h4-11H,3,12-13H2,1-2H3,(H,20,22).
What are the key properties of N-[2-(2-methoxyanilino)-2-oxoethyl]-N-propylpyridine-4-carboxamide?
N-[2-(2-methoxyanilino)-2-oxoethyl]-N-propylpyridine-4-carboxamide has a molecular weight of 327.38 g/mol, XLogP of 2.58, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methoxyanilino)-2-oxoethyl]-N-propylpyridine-4-carboxamide is sourced from PubChem (CID 2532614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).