N-[3-(dimethylamino)propyl]-6-(2-ethylanilino)pyridine-3-carboxamide

C19H26N4O — CID 109154445

IUPACN-[3-(dimethylamino)propyl]-6-(2-ethylanilino)pyridine-3-carboxamide
SMILESCCc1ccccc1Nc1ccc(C(=O)NCCCN(C)C)cn1
InChIInChI=1S/C19H26N4O/c1-4-15-8-5-6-9-17(15)22-18-11-10-16(14-21-18)19(24)20-12-7-13-23(2)3/h5-6,8-11,14H,4,7,12-13H2,1-3H3,(H,20,24)(H,21,22)
InChIKeyQHXCTOWKTFZKQL-UHFFFAOYSA-N
MW326.44 g/mol
LogP3.07
Rot. Bonds8

About N-[3-(dimethylamino)propyl]-6-(2-ethylanilino)pyridine-3-carboxamide

N-[3-(dimethylamino)propyl]-6-(2-ethylanilino)pyridine-3-carboxamide (PubChem CID 109154445) has the molecular formula C19H26N4O and a molecular weight of 326.44 g/mol. Its IUPAC name is N-[3-(dimethylamino)propyl]-6-(2-ethylanilino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)propyl]-6-(2-ethylanilino)pyridine-3-carboxamide
PubChem CID109154445
Molecular FormulaC19H26N4O
Molecular Weight326.44 g/mol
Exact Mass326.21
IUPAC NameN-[3-(dimethylamino)propyl]-6-(2-ethylanilino)pyridine-3-carboxamide
SMILESCCc1ccccc1Nc1ccc(C(=O)NCCCN(C)C)cn1
InChIInChI=1S/C19H26N4O/c1-4-15-8-5-6-9-17(15)22-18-11-10-16(14-21-18)19(24)20-12-7-13-23(2)3/h5-6,8-11,14H,4,7,12-13H2,1-3H3,(H,20,24)(H,21,22)
InChIKeyQHXCTOWKTFZKQL-UHFFFAOYSA-N
XLogP3.07
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-N-[3-(dimethylamino)propyl]-4-N-(2-ethylphenyl)benzene-1,4-dicarboxamide
CID 109046007
6-[2-(dimethylamino)ethylamino]-N-[3-(dimethylamino)propyl]pyridine-3-carboxamide
CID 109153720
N-[3-(dimethylamino)propyl]-6-(4-methylanilino)pyridine-3-carboxamide
CID 109154437
6-(4-acetylanilino)-N-[3-(dimethylamino)propyl]pyridine-3-carboxamide
CID 109154486
6-(2-ethylanilino)-N,N-dipropylpyridine-3-carboxamide
CID 109161876
methyl 2-[[5-[2-(dimethylamino)ethylcarbamoyl]-2-pyridinyl]amino]benzoate
CID 109153940
6-(4-bromo-2-methylanilino)-N-[3-(dimethylamino)propyl]pyridine-3-carboxamide
CID 109154506
ethyl 2-[[5-[2-(dimethylamino)ethylcarbamoyl]-2-pyridinyl]amino]benzoate
CID 109153975
N-[3-(dimethylamino)propyl]-6-(2-phenylethylamino)pyridine-3-carboxamide
CID 109154394
6-(2-bromoanilino)-N-pentylpyridine-3-carboxamide
CID 109161449
6-(4-cyanoanilino)-N-[3-(dimethylamino)propyl]pyridine-3-carboxamide
CID 109154528
6-(2-ethoxyanilino)-N-(3-methoxypropyl)pyridine-3-carboxamide
CID 109153373

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)propyl]-6-(2-ethylanilino)pyridine-3-carboxamide?
The IUPAC name of N-[3-(dimethylamino)propyl]-6-(2-ethylanilino)pyridine-3-carboxamide (CID 109154445) is N-[3-(dimethylamino)propyl]-6-(2-ethylanilino)pyridine-3-carboxamide.
What is the SMILES notation for N-[3-(dimethylamino)propyl]-6-(2-ethylanilino)pyridine-3-carboxamide?
The canonical SMILES for N-[3-(dimethylamino)propyl]-6-(2-ethylanilino)pyridine-3-carboxamide is CCc1ccccc1Nc1ccc(C(=O)NCCCN(C)C)cn1.
What is the InChIKey of N-[3-(dimethylamino)propyl]-6-(2-ethylanilino)pyridine-3-carboxamide?
The InChIKey is QHXCTOWKTFZKQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O/c1-4-15-8-5-6-9-17(15)22-18-11-10-16(14-21-18)19(24)20-12-7-13-23(2)3/h5-6,8-11,14H,4,7,12-13H2,1-3H3,(H,20,24)(H,21,22).
What are the key properties of N-[3-(dimethylamino)propyl]-6-(2-ethylanilino)pyridine-3-carboxamide?
N-[3-(dimethylamino)propyl]-6-(2-ethylanilino)pyridine-3-carboxamide has a molecular weight of 326.44 g/mol, XLogP of 3.07, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)propyl]-6-(2-ethylanilino)pyridine-3-carboxamide is sourced from PubChem (CID 109154445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).