6-(butylamino)-N-[4-(diethylamino)-2-methylphenyl]pyridine-3-carboxamide

C21H30N4O — CID 109151666

IUPAC6-(butylamino)-N-[4-(diethylamino)-2-methylphenyl]pyridine-3-carboxamide
SMILESCCCCNc1ccc(C(=O)Nc2ccc(N(CC)CC)cc2C)cn1
InChIInChI=1S/C21H30N4O/c1-5-8-13-22-20-12-9-17(15-23-20)21(26)24-19-11-10-18(14-16(19)4)25(6-2)7-3/h9-12,14-15H,5-8,13H2,1-4H3,(H,22,23)(H,24,26)
InChIKeyMZSPCDANHIGFCX-UHFFFAOYSA-N
MW354.50 g/mol
LogP4.70
Rot. Bonds9

About 6-(butylamino)-N-[4-(diethylamino)-2-methylphenyl]pyridine-3-carboxamide

6-(butylamino)-N-[4-(diethylamino)-2-methylphenyl]pyridine-3-carboxamide (PubChem CID 109151666) has the molecular formula C21H30N4O and a molecular weight of 354.50 g/mol. Its IUPAC name is 6-(butylamino)-N-[4-(diethylamino)-2-methylphenyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(butylamino)-N-[4-(diethylamino)-2-methylphenyl]pyridine-3-carboxamide
PubChem CID109151666
Molecular FormulaC21H30N4O
Molecular Weight354.50 g/mol
Exact Mass354.24
IUPAC Name6-(butylamino)-N-[4-(diethylamino)-2-methylphenyl]pyridine-3-carboxamide
SMILESCCCCNc1ccc(C(=O)Nc2ccc(N(CC)CC)cc2C)cn1
InChIInChI=1S/C21H30N4O/c1-5-8-13-22-20-12-9-17(15-23-20)21(26)24-19-11-10-18(14-16(19)4)25(6-2)7-3/h9-12,14-15H,5-8,13H2,1-4H3,(H,22,23)(H,24,26)
InChIKeyMZSPCDANHIGFCX-UHFFFAOYSA-N
XLogP4.70
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.50
LogP ≤ 54.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 6-(butylamino)-N-[4-(diethylamino)-2-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

6-(cyclopentylamino)-N-[4-(diethylamino)-2-methylphenyl]pyridine-3-carboxamide
CID 109152230
6-(butylamino)-N-[4-(diethylamino)-2-methylphenyl]-2-methylpyrimidine-4-carboxamide
CID 109361727
N-[4-(diethylamino)phenyl]-6-(3-methoxypropylamino)pyridine-3-carboxamide
CID 109153224
N-[4-(diethylamino)-2-methylphenyl]-6-(propylamino)pyrimidine-4-carboxamide
CID 109338428
6-(butylamino)-N-(2-ethylphenyl)pyridine-3-carboxamide
CID 109151611
6-(butylamino)-N-(4-chloro-2-methoxy-5-methylphenyl)pyridine-3-carboxamide
CID 109151665
2-(butylamino)-N-[4-(diethylamino)phenyl]pyrimidine-5-carboxamide
CID 109248388
N-butyl-5-[4-(diethylamino)-2-methylanilino]pyrazine-2-carboxamide
CID 109272523
2-[4-(diethylamino)-2-methylanilino]-N-(2-methylphenyl)pyrimidine-5-carboxamide
CID 109265368
N-[6-(butylamino)-3-pyridinyl]-3,4-dimethylbenzamide
CID 113009468
N-(3,5-dimethylphenyl)-6-(pentylamino)pyridine-3-carboxamide
CID 109161304
N-[4-(diethylamino)-2-methylphenyl]-4-propan-2-ylbenzamide
CID 959434

Frequently Asked Questions

What is the IUPAC name of 6-(butylamino)-N-[4-(diethylamino)-2-methylphenyl]pyridine-3-carboxamide?
The IUPAC name of 6-(butylamino)-N-[4-(diethylamino)-2-methylphenyl]pyridine-3-carboxamide (CID 109151666) is 6-(butylamino)-N-[4-(diethylamino)-2-methylphenyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-(butylamino)-N-[4-(diethylamino)-2-methylphenyl]pyridine-3-carboxamide?
The canonical SMILES for 6-(butylamino)-N-[4-(diethylamino)-2-methylphenyl]pyridine-3-carboxamide is CCCCNc1ccc(C(=O)Nc2ccc(N(CC)CC)cc2C)cn1.
What is the InChIKey of 6-(butylamino)-N-[4-(diethylamino)-2-methylphenyl]pyridine-3-carboxamide?
The InChIKey is MZSPCDANHIGFCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N4O/c1-5-8-13-22-20-12-9-17(15-23-20)21(26)24-19-11-10-18(14-16(19)4)25(6-2)7-3/h9-12,14-15H,5-8,13H2,1-4H3,(H,22,23)(H,24,26).
What are the key properties of 6-(butylamino)-N-[4-(diethylamino)-2-methylphenyl]pyridine-3-carboxamide?
6-(butylamino)-N-[4-(diethylamino)-2-methylphenyl]pyridine-3-carboxamide has a molecular weight of 354.50 g/mol, XLogP of 4.70, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(butylamino)-N-[4-(diethylamino)-2-methylphenyl]pyridine-3-carboxamide is sourced from PubChem (CID 109151666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).