N-(3-acetylphenyl)-4-[3-(dimethylamino)propylamino]pyridine-2-carboxamide

C19H24N4O2 — CID 109208005

IUPACN-(3-acetylphenyl)-4-[3-(dimethylamino)propylamino]pyridine-2-carboxamide
SMILESCC(=O)c1cccc(NC(=O)c2cc(NCCCN(C)C)ccn2)c1
InChIInChI=1S/C19H24N4O2/c1-14(24)15-6-4-7-17(12-15)22-19(25)18-13-16(8-10-21-18)20-9-5-11-23(2)3/h4,6-8,10,12-13H,5,9,11H2,1-3H3,(H,20,21)(H,22,25)
InChIKeyHEEFNCZYZGNWQD-UHFFFAOYSA-N
MW340.43 g/mol
LogP2.90
Rot. Bonds8

About N-(3-acetylphenyl)-4-[3-(dimethylamino)propylamino]pyridine-2-carboxamide

N-(3-acetylphenyl)-4-[3-(dimethylamino)propylamino]pyridine-2-carboxamide (PubChem CID 109208005) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is N-(3-acetylphenyl)-4-[3-(dimethylamino)propylamino]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-4-[3-(dimethylamino)propylamino]pyridine-2-carboxamide
PubChem CID109208005
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC NameN-(3-acetylphenyl)-4-[3-(dimethylamino)propylamino]pyridine-2-carboxamide
SMILESCC(=O)c1cccc(NC(=O)c2cc(NCCCN(C)C)ccn2)c1
InChIInChI=1S/C19H24N4O2/c1-14(24)15-6-4-7-17(12-15)22-19(25)18-13-16(8-10-21-18)20-9-5-11-23(2)3/h4,6-8,10,12-13H,5,9,11H2,1-3H3,(H,20,21)(H,22,25)
InChIKeyHEEFNCZYZGNWQD-UHFFFAOYSA-N
XLogP2.90
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 52.90
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

N-(3-acetylphenyl)-4-(butylamino)pyridine-2-carboxamide
CID 109202795
N-[4-(dimethylamino)phenyl]-4-[3-(dimethylamino)propylamino]pyridine-2-carboxamide
CID 109208013
4-(3-acetamidoanilino)-N-[3-(dimethylamino)propyl]pyridine-2-carboxamide
CID 109207839
4-[2-(dimethylamino)ethylamino]-N-[3-(dimethylamino)propyl]pyridine-2-carboxamide
CID 109207266
4-[3-(dimethylamino)propylamino]pyridine-2-carboxylic acid
CID 43143056
N-(3-acetylphenyl)-4-[(4-chlorophenyl)methylamino]pyridine-2-carboxamide
CID 109211919
N-(3-acetylphenyl)-4-anilinopyridine-2-carboxamide
CID 109218881
N-(2,4-difluorophenyl)-4-[3-(dimethylamino)propylamino]pyridine-2-carboxamide
CID 109208033
methyl 4-[3-(dimethylamino)propylamino]pyridine-2-carboxylate
CID 66284614
4-(butylamino)-N-(3-methylphenyl)pyridine-2-carboxamide
CID 109202744
4-(3-acetylanilino)-N-(4-fluorophenyl)pyridine-2-carboxamide
CID 109220749
4-[3-(dimethylamino)propylamino]-N-(2-phenoxyphenyl)pyridine-2-carboxamide
CID 109208035

Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-4-[3-(dimethylamino)propylamino]pyridine-2-carboxamide?
The IUPAC name of N-(3-acetylphenyl)-4-[3-(dimethylamino)propylamino]pyridine-2-carboxamide (CID 109208005) is N-(3-acetylphenyl)-4-[3-(dimethylamino)propylamino]pyridine-2-carboxamide.
What is the SMILES notation for N-(3-acetylphenyl)-4-[3-(dimethylamino)propylamino]pyridine-2-carboxamide?
The canonical SMILES for N-(3-acetylphenyl)-4-[3-(dimethylamino)propylamino]pyridine-2-carboxamide is CC(=O)c1cccc(NC(=O)c2cc(NCCCN(C)C)ccn2)c1.
What is the InChIKey of N-(3-acetylphenyl)-4-[3-(dimethylamino)propylamino]pyridine-2-carboxamide?
The InChIKey is HEEFNCZYZGNWQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2/c1-14(24)15-6-4-7-17(12-15)22-19(25)18-13-16(8-10-21-18)20-9-5-11-23(2)3/h4,6-8,10,12-13H,5,9,11H2,1-3H3,(H,20,21)(H,22,25).
What are the key properties of N-(3-acetylphenyl)-4-[3-(dimethylamino)propylamino]pyridine-2-carboxamide?
N-(3-acetylphenyl)-4-[3-(dimethylamino)propylamino]pyridine-2-carboxamide has a molecular weight of 340.43 g/mol, XLogP of 2.90, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-4-[3-(dimethylamino)propylamino]pyridine-2-carboxamide is sourced from PubChem (CID 109208005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).