4-(4-methylanilino)-N-(1-phenylethyl)pyridine-2-carboxamide

C21H21N3O — CID 109210681

IUPAC4-(4-methylanilino)-N-(1-phenylethyl)pyridine-2-carboxamide
SMILESCc1ccc(Nc2ccnc(C(=O)NC(C)c3ccccc3)c2)cc1
InChIInChI=1S/C21H21N3O/c1-15-8-10-18(11-9-15)24-19-12-13-22-20(14-19)21(25)23-16(2)17-6-4-3-5-7-17/h3-14,16H,1-2H3,(H,22,24)(H,23,25)
InChIKeyQVMWFAPMQWKHFX-UHFFFAOYSA-N
MW331.42 g/mol
LogP4.62
Rot. Bonds5

About 4-(4-methylanilino)-N-(1-phenylethyl)pyridine-2-carboxamide

4-(4-methylanilino)-N-(1-phenylethyl)pyridine-2-carboxamide (PubChem CID 109210681) has the molecular formula C21H21N3O and a molecular weight of 331.42 g/mol. Its IUPAC name is 4-(4-methylanilino)-N-(1-phenylethyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name4-(4-methylanilino)-N-(1-phenylethyl)pyridine-2-carboxamide
PubChem CID109210681
Molecular FormulaC21H21N3O
Molecular Weight331.42 g/mol
Exact Mass331.17
IUPAC Name4-(4-methylanilino)-N-(1-phenylethyl)pyridine-2-carboxamide
SMILESCc1ccc(Nc2ccnc(C(=O)NC(C)c3ccccc3)c2)cc1
InChIInChI=1S/C21H21N3O/c1-15-8-10-18(11-9-15)24-19-12-13-22-20(14-19)21(25)23-16(2)17-6-4-3-5-7-17/h3-14,16H,1-2H3,(H,22,24)(H,23,25)
InChIKeyQVMWFAPMQWKHFX-UHFFFAOYSA-N
XLogP4.62
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 54.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-(4-methylanilino)-N-(1-phenylethyl)pyridine-2-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-(2-methylanilino)-N-(1-phenylethyl)pyridine-2-carboxamide
CID 109210679
4-(3-methoxyanilino)-N-(1-phenylethyl)pyridine-2-carboxamide
CID 109210708
4-(4-methylanilino)-N-phenylpyridine-2-carboxamide
CID 109218739
4-(butan-2-ylamino)-N-(1-phenylethyl)pyridine-2-carboxamide
CID 109203446
4-(cycloheptylamino)-N-(1-phenylethyl)pyridine-2-carboxamide
CID 109210668
N-(1-phenylethyl)-4-(2-phenylethylamino)pyridine-2-carboxamide
CID 109210644
4-anilino-N-butan-2-ylpyridine-2-carboxamide
CID 109203318
4-(4-chloro-2-methoxy-5-methylanilino)-N-(1-phenylethyl)pyridine-2-carboxamide
CID 109210740
4-amino-N-[1-(4-methylphenyl)ethyl]pyridine-2-carboxamide
CID 55041957
4-chloro-N-[1-(4-methylphenyl)ethyl]pyridine-2-carboxamide
CID 47161139
N-phenyl-4-(4-propan-2-ylanilino)pyridine-2-carboxamide
CID 109218754
4-(furan-2-ylmethylamino)-N-(1-phenylethyl)pyridine-2-carboxamide
CID 109209450

Frequently Asked Questions

What is the IUPAC name of 4-(4-methylanilino)-N-(1-phenylethyl)pyridine-2-carboxamide?
The IUPAC name of 4-(4-methylanilino)-N-(1-phenylethyl)pyridine-2-carboxamide (CID 109210681) is 4-(4-methylanilino)-N-(1-phenylethyl)pyridine-2-carboxamide.
What is the SMILES notation for 4-(4-methylanilino)-N-(1-phenylethyl)pyridine-2-carboxamide?
The canonical SMILES for 4-(4-methylanilino)-N-(1-phenylethyl)pyridine-2-carboxamide is Cc1ccc(Nc2ccnc(C(=O)NC(C)c3ccccc3)c2)cc1.
What is the InChIKey of 4-(4-methylanilino)-N-(1-phenylethyl)pyridine-2-carboxamide?
The InChIKey is QVMWFAPMQWKHFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O/c1-15-8-10-18(11-9-15)24-19-12-13-22-20(14-19)21(25)23-16(2)17-6-4-3-5-7-17/h3-14,16H,1-2H3,(H,22,24)(H,23,25).
What are the key properties of 4-(4-methylanilino)-N-(1-phenylethyl)pyridine-2-carboxamide?
4-(4-methylanilino)-N-(1-phenylethyl)pyridine-2-carboxamide has a molecular weight of 331.42 g/mol, XLogP of 4.62, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylanilino)-N-(1-phenylethyl)pyridine-2-carboxamide is sourced from PubChem (CID 109210681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).