N-[3-(dimethylamino)propyl]-2-(3-methoxyanilino)pyridine-4-carboxamide

C18H24N4O2 — CID 109168244

IUPACN-[3-(dimethylamino)propyl]-2-(3-methoxyanilino)pyridine-4-carboxamide
SMILESCOc1cccc(Nc2cc(C(=O)NCCCN(C)C)ccn2)c1
InChIInChI=1S/C18H24N4O2/c1-22(2)11-5-9-20-18(23)14-8-10-19-17(12-14)21-15-6-4-7-16(13-15)24-3/h4,6-8,10,12-13H,5,9,11H2,1-3H3,(H,19,21)(H,20,23)
InChIKeyMMCDATVGESKXLF-UHFFFAOYSA-N
MW328.42 g/mol
LogP2.52
Rot. Bonds8

About N-[3-(dimethylamino)propyl]-2-(3-methoxyanilino)pyridine-4-carboxamide

N-[3-(dimethylamino)propyl]-2-(3-methoxyanilino)pyridine-4-carboxamide (PubChem CID 109168244) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is N-[3-(dimethylamino)propyl]-2-(3-methoxyanilino)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)propyl]-2-(3-methoxyanilino)pyridine-4-carboxamide
PubChem CID109168244
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC NameN-[3-(dimethylamino)propyl]-2-(3-methoxyanilino)pyridine-4-carboxamide
SMILESCOc1cccc(Nc2cc(C(=O)NCCCN(C)C)ccn2)c1
InChIInChI=1S/C18H24N4O2/c1-22(2)11-5-9-20-18(23)14-8-10-19-17(12-14)21-15-6-4-7-16(13-15)24-3/h4,6-8,10,12-13H,5,9,11H2,1-3H3,(H,19,21)(H,20,23)
InChIKeyMMCDATVGESKXLF-UHFFFAOYSA-N
XLogP2.52
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 52.52
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-methoxyanilino)-N-(2-methoxyethyl)pyridine-4-carboxamide
CID 109166806
2-[3-(dimethylamino)propylamino]-N-(3-methoxyphenyl)pyridine-4-carboxamide
CID 109168403
N-[3-(dimethylamino)propyl]-2-[3-(trifluoromethyl)anilino]pyridine-4-carboxamide
CID 109168255
N-[3-(dimethylamino)propyl]-3-methoxybenzamide
CID 3117661
2-(4-acetamidoanilino)-N-[3-(dimethylamino)propyl]pyridine-4-carboxamide
CID 109168260
2-(2,6-dichloroanilino)-N-[3-(dimethylamino)propyl]pyridine-4-carboxamide
CID 109168292
methyl 2-(3-methoxyanilino)pyridine-4-carboxylate
CID 68663874
N-[(4-chlorophenyl)methyl]-2-(3-methoxyanilino)pyridine-4-carboxamide
CID 109170897
N-[(2-chlorophenyl)methyl]-2-(3-methoxyanilino)pyridine-4-carboxamide
CID 109170757
N-(2,6-difluorophenyl)-2-(3-methoxyanilino)pyridine-4-carboxamide
CID 109178031
N-(3-methoxypropyl)-2-(3-methylanilino)pyridine-4-carboxamide
CID 109167047
2-[2-(dimethylamino)ethylamino]-N-[3-(dimethylamino)propyl]pyridine-4-carboxamide
CID 109167778

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)propyl]-2-(3-methoxyanilino)pyridine-4-carboxamide?
The IUPAC name of N-[3-(dimethylamino)propyl]-2-(3-methoxyanilino)pyridine-4-carboxamide (CID 109168244) is N-[3-(dimethylamino)propyl]-2-(3-methoxyanilino)pyridine-4-carboxamide.
What is the SMILES notation for N-[3-(dimethylamino)propyl]-2-(3-methoxyanilino)pyridine-4-carboxamide?
The canonical SMILES for N-[3-(dimethylamino)propyl]-2-(3-methoxyanilino)pyridine-4-carboxamide is COc1cccc(Nc2cc(C(=O)NCCCN(C)C)ccn2)c1.
What is the InChIKey of N-[3-(dimethylamino)propyl]-2-(3-methoxyanilino)pyridine-4-carboxamide?
The InChIKey is MMCDATVGESKXLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2/c1-22(2)11-5-9-20-18(23)14-8-10-19-17(12-14)21-15-6-4-7-16(13-15)24-3/h4,6-8,10,12-13H,5,9,11H2,1-3H3,(H,19,21)(H,20,23).
What are the key properties of N-[3-(dimethylamino)propyl]-2-(3-methoxyanilino)pyridine-4-carboxamide?
N-[3-(dimethylamino)propyl]-2-(3-methoxyanilino)pyridine-4-carboxamide has a molecular weight of 328.42 g/mol, XLogP of 2.52, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)propyl]-2-(3-methoxyanilino)pyridine-4-carboxamide is sourced from PubChem (CID 109168244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).