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

C21H21N3O — CID 109210679

IUPAC4-(2-methylanilino)-N-(1-phenylethyl)pyridine-2-carboxamide
SMILESCc1ccccc1Nc1ccnc(C(=O)NC(C)c2ccccc2)c1
InChIInChI=1S/C21H21N3O/c1-15-8-6-7-11-19(15)24-18-12-13-22-20(14-18)21(25)23-16(2)17-9-4-3-5-10-17/h3-14,16H,1-2H3,(H,22,24)(H,23,25)
InChIKeyPVLUEJARRVTTJY-UHFFFAOYSA-N
MW331.42 g/mol
LogP4.62
Rot. Bonds5

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

4-(2-methylanilino)-N-(1-phenylethyl)pyridine-2-carboxamide (PubChem CID 109210679) has the molecular formula C21H21N3O and a molecular weight of 331.42 g/mol. Its IUPAC name is 4-(2-methylanilino)-N-(1-phenylethyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name4-(2-methylanilino)-N-(1-phenylethyl)pyridine-2-carboxamide
PubChem CID109210679
Molecular FormulaC21H21N3O
Molecular Weight331.42 g/mol
Exact Mass331.17
IUPAC Name4-(2-methylanilino)-N-(1-phenylethyl)pyridine-2-carboxamide
SMILESCc1ccccc1Nc1ccnc(C(=O)NC(C)c2ccccc2)c1
InChIInChI=1S/C21H21N3O/c1-15-8-6-7-11-19(15)24-18-12-13-22-20(14-18)21(25)23-16(2)17-9-4-3-5-10-17/h3-14,16H,1-2H3,(H,22,24)(H,23,25)
InChIKeyPVLUEJARRVTTJY-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

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Related Compounds

4-(4-methylanilino)-N-(1-phenylethyl)pyridine-2-carboxamide
CID 109210681
4-(4-chloro-2-methoxy-5-methylanilino)-N-(1-phenylethyl)pyridine-2-carboxamide
CID 109210740
N-(2-methylphenyl)-4-(1-phenylethylamino)pyridine-2-carboxamide
CID 109210797
4-(3-methoxyanilino)-N-(1-phenylethyl)pyridine-2-carboxamide
CID 109210708
5-(2-methylanilino)-N-(1-phenylethyl)pyrazine-2-carboxamide
CID 109280804
4-(butan-2-ylamino)-N-(1-phenylethyl)pyridine-2-carboxamide
CID 109203446
2-(2-methylanilino)-N-(1-phenylethyl)-1,3-thiazole-4-carboxamide
CID 3546065
4-(2-methylanilino)-N-(4-propan-2-yloxyphenyl)pyridine-2-carboxamide
CID 109219027
N-(3,4-dimethylphenyl)-4-(2-methylanilino)pyridine-2-carboxamide
CID 109219004
N-(1-phenylethyl)-4-(2-phenylethylamino)pyridine-2-carboxamide
CID 109210644
4-(cycloheptylamino)-N-(1-phenylethyl)pyridine-2-carboxamide
CID 109210668
N-cyclopentyl-4-(2-methylanilino)pyridine-2-carboxamide
CID 109204070

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylanilino)-N-(1-phenylethyl)pyridine-2-carboxamide?
The IUPAC name of 4-(2-methylanilino)-N-(1-phenylethyl)pyridine-2-carboxamide (CID 109210679) is 4-(2-methylanilino)-N-(1-phenylethyl)pyridine-2-carboxamide.
What is the SMILES notation for 4-(2-methylanilino)-N-(1-phenylethyl)pyridine-2-carboxamide?
The canonical SMILES for 4-(2-methylanilino)-N-(1-phenylethyl)pyridine-2-carboxamide is Cc1ccccc1Nc1ccnc(C(=O)NC(C)c2ccccc2)c1.
What is the InChIKey of 4-(2-methylanilino)-N-(1-phenylethyl)pyridine-2-carboxamide?
The InChIKey is PVLUEJARRVTTJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O/c1-15-8-6-7-11-19(15)24-18-12-13-22-20(14-18)21(25)23-16(2)17-9-4-3-5-10-17/h3-14,16H,1-2H3,(H,22,24)(H,23,25).
What are the key properties of 4-(2-methylanilino)-N-(1-phenylethyl)pyridine-2-carboxamide?
4-(2-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-(2-methylanilino)-N-(1-phenylethyl)pyridine-2-carboxamide is sourced from PubChem (CID 109210679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).