6-[2-(2,2-dimethylpropanoylamino)ethylamino]-N-(4-methylphenyl)pyridine-3-carboxamide

C20H26N4O2 — CID 133326827

IUPAC6-[2-(2,2-dimethylpropanoylamino)ethylamino]-N-(4-methylphenyl)pyridine-3-carboxamide
SMILESCc1ccc(NC(=O)c2ccc(NCCNC(=O)C(C)(C)C)nc2)cc1
InChIInChI=1S/C20H26N4O2/c1-14-5-8-16(9-6-14)24-18(25)15-7-10-17(23-13-15)21-11-12-22-19(26)20(2,3)4/h5-10,13H,11-12H2,1-4H3,(H,21,23)(H,22,26)(H,24,25)
InChIKeyWOTOFYXMEGWIJZ-UHFFFAOYSA-N
MW354.45 g/mol
LogP3.22
Rot. Bonds6

About 6-[2-(2,2-dimethylpropanoylamino)ethylamino]-N-(4-methylphenyl)pyridine-3-carboxamide

6-[2-(2,2-dimethylpropanoylamino)ethylamino]-N-(4-methylphenyl)pyridine-3-carboxamide (PubChem CID 133326827) has the molecular formula C20H26N4O2 and a molecular weight of 354.45 g/mol. Its IUPAC name is 6-[2-(2,2-dimethylpropanoylamino)ethylamino]-N-(4-methylphenyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[2-(2,2-dimethylpropanoylamino)ethylamino]-N-(4-methylphenyl)pyridine-3-carboxamide
PubChem CID133326827
Molecular FormulaC20H26N4O2
Molecular Weight354.45 g/mol
Exact Mass354.21
IUPAC Name6-[2-(2,2-dimethylpropanoylamino)ethylamino]-N-(4-methylphenyl)pyridine-3-carboxamide
SMILESCc1ccc(NC(=O)c2ccc(NCCNC(=O)C(C)(C)C)nc2)cc1
InChIInChI=1S/C20H26N4O2/c1-14-5-8-16(9-6-14)24-18(25)15-7-10-17(23-13-15)21-11-12-22-19(26)20(2,3)4/h5-10,13H,11-12H2,1-4H3,(H,21,23)(H,22,26)(H,24,25)
InChIKeyWOTOFYXMEGWIJZ-UHFFFAOYSA-N
XLogP3.22
TPSA83.12 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 53.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 6-[2-(2,2-dimethylpropanoylamino)ethylamino]-N-(4-methylphenyl)pyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-methyl-N-[2-[(5-methyl-2-pyridinyl)amino]ethyl]benzamide
CID 60965045
6-[[2-(cyclopropylmethylamino)-2-oxoethyl]amino]-N-(4-methylphenyl)pyridine-3-carboxamide
CID 133441834
N-(4-bromophenyl)-6-[(4-methylphenyl)methylamino]pyridine-3-carboxamide
CID 109155992
6-[(4-methylphenyl)methylamino]-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 109156003
N-(4-tert-butylphenyl)-6-(pentylamino)pyridine-3-carboxamide
CID 109161313
N-[6-(ethylamino)-3-pyridinyl]-4-methylbenzamide
CID 115268582
methyl 4-[[6-[(4-methylphenyl)methylamino]pyridine-3-carbonyl]amino]benzoate
CID 109156010
N-[2-[(5-amino-2-pyridinyl)amino]ethyl]-2,2-dimethylpropanamide
CID 82331443
4-methyl-N-[6-[(4-methylphenyl)methylamino]-3-pyridinyl]benzamide
CID 113011759
N-[6-(4-tert-butylanilino)-3-pyridinyl]-4-methylbenzamide
CID 113018129
N-(4-methylphenyl)-6-[4-(trifluoromethyl)anilino]pyridine-3-carboxamide
CID 109162294
N-(4-acetamidophenyl)-6-(3-methoxypropylamino)pyridine-3-carboxamide
CID 109153217

Frequently Asked Questions

What is the IUPAC name of 6-[2-(2,2-dimethylpropanoylamino)ethylamino]-N-(4-methylphenyl)pyridine-3-carboxamide?
The IUPAC name of 6-[2-(2,2-dimethylpropanoylamino)ethylamino]-N-(4-methylphenyl)pyridine-3-carboxamide (CID 133326827) is 6-[2-(2,2-dimethylpropanoylamino)ethylamino]-N-(4-methylphenyl)pyridine-3-carboxamide.
What is the SMILES notation for 6-[2-(2,2-dimethylpropanoylamino)ethylamino]-N-(4-methylphenyl)pyridine-3-carboxamide?
The canonical SMILES for 6-[2-(2,2-dimethylpropanoylamino)ethylamino]-N-(4-methylphenyl)pyridine-3-carboxamide is Cc1ccc(NC(=O)c2ccc(NCCNC(=O)C(C)(C)C)nc2)cc1.
What is the InChIKey of 6-[2-(2,2-dimethylpropanoylamino)ethylamino]-N-(4-methylphenyl)pyridine-3-carboxamide?
The InChIKey is WOTOFYXMEGWIJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O2/c1-14-5-8-16(9-6-14)24-18(25)15-7-10-17(23-13-15)21-11-12-22-19(26)20(2,3)4/h5-10,13H,11-12H2,1-4H3,(H,21,23)(H,22,26)(H,24,25).
What are the key properties of 6-[2-(2,2-dimethylpropanoylamino)ethylamino]-N-(4-methylphenyl)pyridine-3-carboxamide?
6-[2-(2,2-dimethylpropanoylamino)ethylamino]-N-(4-methylphenyl)pyridine-3-carboxamide has a molecular weight of 354.45 g/mol, XLogP of 3.22, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(2,2-dimethylpropanoylamino)ethylamino]-N-(4-methylphenyl)pyridine-3-carboxamide is sourced from PubChem (CID 133326827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).