N-benzyl-2-(4-chloro-2-methylanilino)pyridine-4-carboxamide

C20H18ClN3O — CID 109169457

IUPACN-benzyl-2-(4-chloro-2-methylanilino)pyridine-4-carboxamide
SMILESCc1cc(Cl)ccc1Nc1cc(C(=O)NCc2ccccc2)ccn1
InChIInChI=1S/C20H18ClN3O/c1-14-11-17(21)7-8-18(14)24-19-12-16(9-10-22-19)20(25)23-13-15-5-3-2-4-6-15/h2-12H,13H2,1H3,(H,22,24)(H,23,25)
InChIKeyBKUCCOWAKHLZSV-UHFFFAOYSA-N
MW351.84 g/mol
LogP4.72
Rot. Bonds5

About N-benzyl-2-(4-chloro-2-methylanilino)pyridine-4-carboxamide

N-benzyl-2-(4-chloro-2-methylanilino)pyridine-4-carboxamide (PubChem CID 109169457) has the molecular formula C20H18ClN3O and a molecular weight of 351.84 g/mol. Its IUPAC name is N-benzyl-2-(4-chloro-2-methylanilino)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-benzyl-2-(4-chloro-2-methylanilino)pyridine-4-carboxamide
PubChem CID109169457
Molecular FormulaC20H18ClN3O
Molecular Weight351.84 g/mol
Exact Mass351.11
IUPAC NameN-benzyl-2-(4-chloro-2-methylanilino)pyridine-4-carboxamide
SMILESCc1cc(Cl)ccc1Nc1cc(C(=O)NCc2ccccc2)ccn1
InChIInChI=1S/C20H18ClN3O/c1-14-11-17(21)7-8-18(14)24-19-12-16(9-10-22-19)20(25)23-13-15-5-3-2-4-6-15/h2-12H,13H2,1H3,(H,22,24)(H,23,25)
InChIKeyBKUCCOWAKHLZSV-UHFFFAOYSA-N
XLogP4.72
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.84
LogP ≤ 54.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chloro-2-methylanilino)-N-(pyridin-4-ylmethyl)pyridine-4-carboxamide
CID 109172024
4-N-benzyl-2-N-(4-chloro-2-methylphenyl)pyridine-2,4-dicarboxamide
CID 109085349
N-benzyl-2-(2-bromo-4-methylanilino)pyridine-4-carboxamide
CID 109169486
N-benzyl-2-(2,3-dichloroanilino)pyridine-4-carboxamide
CID 109169498
2-(5-chloro-2-methylanilino)-N-[(4-methoxyphenyl)methyl]pyridine-4-carboxamide
CID 109171227
N-[(4-chlorophenyl)methyl]-2-(2-ethoxyanilino)pyridine-4-carboxamide
CID 109170899
N-[(4-chlorophenyl)methyl]-2-(2-phenylethylamino)pyridine-4-carboxamide
CID 109170866
3-N-benzyl-5-N-(4-chloro-2-methylphenyl)pyridine-3,5-dicarboxamide
CID 109105042
N-benzyl-2-[2-(3-chlorophenyl)ethylamino]pyridine-4-carboxamide
CID 109169452
N-benzyl-2-(4-tert-butylanilino)pyridine-4-carboxamide
CID 109169454
2-N-benzyl-4-N-[(4-chlorophenyl)methyl]pyridine-2,4-dicarboxamide
CID 109085399
2-(3-chloro-4-methylanilino)-N-(pyridin-4-ylmethyl)pyridine-4-carboxamide
CID 109172025

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(4-chloro-2-methylanilino)pyridine-4-carboxamide?
The IUPAC name of N-benzyl-2-(4-chloro-2-methylanilino)pyridine-4-carboxamide (CID 109169457) is N-benzyl-2-(4-chloro-2-methylanilino)pyridine-4-carboxamide.
What is the SMILES notation for N-benzyl-2-(4-chloro-2-methylanilino)pyridine-4-carboxamide?
The canonical SMILES for N-benzyl-2-(4-chloro-2-methylanilino)pyridine-4-carboxamide is Cc1cc(Cl)ccc1Nc1cc(C(=O)NCc2ccccc2)ccn1.
What is the InChIKey of N-benzyl-2-(4-chloro-2-methylanilino)pyridine-4-carboxamide?
The InChIKey is BKUCCOWAKHLZSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClN3O/c1-14-11-17(21)7-8-18(14)24-19-12-16(9-10-22-19)20(25)23-13-15-5-3-2-4-6-15/h2-12H,13H2,1H3,(H,22,24)(H,23,25).
What are the key properties of N-benzyl-2-(4-chloro-2-methylanilino)pyridine-4-carboxamide?
N-benzyl-2-(4-chloro-2-methylanilino)pyridine-4-carboxamide has a molecular weight of 351.84 g/mol, XLogP of 4.72, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(4-chloro-2-methylanilino)pyridine-4-carboxamide is sourced from PubChem (CID 109169457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).