N-(4-acetylphenyl)-2-(3-methoxypropylamino)pyridine-4-carboxamide

C18H21N3O3 — CID 109167267

IUPACN-(4-acetylphenyl)-2-(3-methoxypropylamino)pyridine-4-carboxamide
SMILESCOCCCNc1cc(C(=O)Nc2ccc(C(C)=O)cc2)ccn1
InChIInChI=1S/C18H21N3O3/c1-13(22)14-4-6-16(7-5-14)21-18(23)15-8-10-20-17(12-15)19-9-3-11-24-2/h4-8,10,12H,3,9,11H2,1-2H3,(H,19,20)(H,21,23)
InChIKeyNBVJCEQQIZNLGT-UHFFFAOYSA-N
MW327.38 g/mol
LogP2.98
Rot. Bonds8

About N-(4-acetylphenyl)-2-(3-methoxypropylamino)pyridine-4-carboxamide

N-(4-acetylphenyl)-2-(3-methoxypropylamino)pyridine-4-carboxamide (PubChem CID 109167267) has the molecular formula C18H21N3O3 and a molecular weight of 327.38 g/mol. Its IUPAC name is N-(4-acetylphenyl)-2-(3-methoxypropylamino)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-2-(3-methoxypropylamino)pyridine-4-carboxamide
PubChem CID109167267
Molecular FormulaC18H21N3O3
Molecular Weight327.38 g/mol
Exact Mass327.16
IUPAC NameN-(4-acetylphenyl)-2-(3-methoxypropylamino)pyridine-4-carboxamide
SMILESCOCCCNc1cc(C(=O)Nc2ccc(C(C)=O)cc2)ccn1
InChIInChI=1S/C18H21N3O3/c1-13(22)14-4-6-16(7-5-14)21-18(23)15-8-10-20-17(12-15)19-9-3-11-24-2/h4-8,10,12H,3,9,11H2,1-2H3,(H,19,20)(H,21,23)
InChIKeyNBVJCEQQIZNLGT-UHFFFAOYSA-N
XLogP2.98
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(3-methoxypropylamino)-N-(4-propan-2-ylphenyl)pyridine-4-carboxamide
CID 109167231
N-(3,4-difluorophenyl)-2-(3-methoxypropylamino)pyridine-4-carboxamide
CID 109167317
N-[4-(dimethylamino)phenyl]-2-(2-methoxyethylamino)pyridine-4-carboxamide
CID 109166952
N-(2,6-diethylphenyl)-2-(3-methoxypropylamino)pyridine-4-carboxamide
CID 109167233
2-(3-methoxypropylamino)-N-(5-methyl-1,2-oxazol-3-yl)pyridine-4-carboxamide
CID 109167318
N-(4-acetamidophenyl)-2-[3-(dimethylamino)propylamino]pyridine-4-carboxamide
CID 109168419
N-(4-acetamidophenyl)-6-(3-methoxypropylamino)pyridine-3-carboxamide
CID 109153217
2-(3-methoxypropylamino)-N-(2,3,4-trifluorophenyl)pyridine-4-carboxamide
CID 109167315
N-(4-fluorophenyl)-2-[2-(4-methoxyphenoxy)ethylamino]pyridine-4-carboxamide
CID 109174963
2-(2-methoxyethylamino)-N-(4-piperidin-1-ylphenyl)pyridine-4-carboxamide
CID 109166955
N-(4-acetylphenyl)-6-(2-methoxyethylamino)pyrimidine-4-carboxamide
CID 109342867
2-(butylamino)-N-(3,4-dimethoxyphenyl)pyridine-4-carboxamide
CID 109165609

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-2-(3-methoxypropylamino)pyridine-4-carboxamide?
The IUPAC name of N-(4-acetylphenyl)-2-(3-methoxypropylamino)pyridine-4-carboxamide (CID 109167267) is N-(4-acetylphenyl)-2-(3-methoxypropylamino)pyridine-4-carboxamide.
What is the SMILES notation for N-(4-acetylphenyl)-2-(3-methoxypropylamino)pyridine-4-carboxamide?
The canonical SMILES for N-(4-acetylphenyl)-2-(3-methoxypropylamino)pyridine-4-carboxamide is COCCCNc1cc(C(=O)Nc2ccc(C(C)=O)cc2)ccn1.
What is the InChIKey of N-(4-acetylphenyl)-2-(3-methoxypropylamino)pyridine-4-carboxamide?
The InChIKey is NBVJCEQQIZNLGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O3/c1-13(22)14-4-6-16(7-5-14)21-18(23)15-8-10-20-17(12-15)19-9-3-11-24-2/h4-8,10,12H,3,9,11H2,1-2H3,(H,19,20)(H,21,23).
What are the key properties of N-(4-acetylphenyl)-2-(3-methoxypropylamino)pyridine-4-carboxamide?
N-(4-acetylphenyl)-2-(3-methoxypropylamino)pyridine-4-carboxamide has a molecular weight of 327.38 g/mol, XLogP of 2.98, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-2-(3-methoxypropylamino)pyridine-4-carboxamide is sourced from PubChem (CID 109167267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).