N-(3-acetylphenyl)-6-(butylamino)pyridine-3-carboxamide

C18H21N3O2 — CID 109151637

IUPACN-(3-acetylphenyl)-6-(butylamino)pyridine-3-carboxamide
SMILESCCCCNc1ccc(C(=O)Nc2cccc(C(C)=O)c2)cn1
InChIInChI=1S/C18H21N3O2/c1-3-4-10-19-17-9-8-15(12-20-17)18(23)21-16-7-5-6-14(11-16)13(2)22/h5-9,11-12H,3-4,10H2,1-2H3,(H,19,20)(H,21,23)
InChIKeyPNHUVGHUCYFMPC-UHFFFAOYSA-N
MW311.39 g/mol
LogP3.75
Rot. Bonds7

About N-(3-acetylphenyl)-6-(butylamino)pyridine-3-carboxamide

N-(3-acetylphenyl)-6-(butylamino)pyridine-3-carboxamide (PubChem CID 109151637) has the molecular formula C18H21N3O2 and a molecular weight of 311.39 g/mol. Its IUPAC name is N-(3-acetylphenyl)-6-(butylamino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-6-(butylamino)pyridine-3-carboxamide
PubChem CID109151637
Molecular FormulaC18H21N3O2
Molecular Weight311.39 g/mol
Exact Mass311.16
IUPAC NameN-(3-acetylphenyl)-6-(butylamino)pyridine-3-carboxamide
SMILESCCCCNc1ccc(C(=O)Nc2cccc(C(C)=O)c2)cn1
InChIInChI=1S/C18H21N3O2/c1-3-4-10-19-17-9-8-15(12-20-17)18(23)21-16-7-5-6-14(11-16)13(2)22/h5-9,11-12H,3-4,10H2,1-2H3,(H,19,20)(H,21,23)
InChIKeyPNHUVGHUCYFMPC-UHFFFAOYSA-N
XLogP3.75
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 53.75
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

N-(3-acetylphenyl)-6-(3-phenylpropylamino)pyridine-3-carboxamide
CID 109160811
N-(3-acetamidophenyl)-6-(3-methoxypropylamino)pyridine-3-carboxamide
CID 109153216
N-(3-acetamidophenyl)-6-[3-(dimethylamino)propylamino]pyridine-3-carboxamide
CID 109154328
N-(3,5-dimethylphenyl)-6-(pentylamino)pyridine-3-carboxamide
CID 109161304
N-[6-(butylamino)-3-pyridinyl]-3-fluorobenzamide
CID 113009457
N-(3-acetylphenyl)-6-(4-ethylanilino)pyridine-3-carboxamide
CID 109162858
N-(3-bromophenyl)-6-[3-(dimethylamino)propylamino]pyridine-3-carboxamide
CID 109154345
N-[6-(butylamino)-3-pyridinyl]-3-methoxybenzamide
CID 113009463
N-(4-tert-butylphenyl)-6-(pentylamino)pyridine-3-carboxamide
CID 109161313
N-(3-acetylphenyl)-4-(butylamino)pyridine-2-carboxamide
CID 109202795
6-(butylamino)-N-(2-ethylphenyl)pyridine-3-carboxamide
CID 109151611
N-[6-(butylamino)-3-pyridinyl]-3,4-dimethylbenzamide
CID 113009468

Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-6-(butylamino)pyridine-3-carboxamide?
The IUPAC name of N-(3-acetylphenyl)-6-(butylamino)pyridine-3-carboxamide (CID 109151637) is N-(3-acetylphenyl)-6-(butylamino)pyridine-3-carboxamide.
What is the SMILES notation for N-(3-acetylphenyl)-6-(butylamino)pyridine-3-carboxamide?
The canonical SMILES for N-(3-acetylphenyl)-6-(butylamino)pyridine-3-carboxamide is CCCCNc1ccc(C(=O)Nc2cccc(C(C)=O)c2)cn1.
What is the InChIKey of N-(3-acetylphenyl)-6-(butylamino)pyridine-3-carboxamide?
The InChIKey is PNHUVGHUCYFMPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2/c1-3-4-10-19-17-9-8-15(12-20-17)18(23)21-16-7-5-6-14(11-16)13(2)22/h5-9,11-12H,3-4,10H2,1-2H3,(H,19,20)(H,21,23).
What are the key properties of N-(3-acetylphenyl)-6-(butylamino)pyridine-3-carboxamide?
N-(3-acetylphenyl)-6-(butylamino)pyridine-3-carboxamide has a molecular weight of 311.39 g/mol, XLogP of 3.75, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-6-(butylamino)pyridine-3-carboxamide is sourced from PubChem (CID 109151637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).