N-benzyl-5-(3-chloro-2-methylanilino)pyridine-3-carboxamide

C20H18ClN3O — CID 109231717

IUPACN-benzyl-5-(3-chloro-2-methylanilino)pyridine-3-carboxamide
SMILESCc1c(Cl)cccc1Nc1cncc(C(=O)NCc2ccccc2)c1
InChIInChI=1S/C20H18ClN3O/c1-14-18(21)8-5-9-19(14)24-17-10-16(12-22-13-17)20(25)23-11-15-6-3-2-4-7-15/h2-10,12-13,24H,11H2,1H3,(H,23,25)
InChIKeyQEKPGCVXTWXGRV-UHFFFAOYSA-N
MW351.84 g/mol
LogP4.72
Rot. Bonds5

About N-benzyl-5-(3-chloro-2-methylanilino)pyridine-3-carboxamide

N-benzyl-5-(3-chloro-2-methylanilino)pyridine-3-carboxamide (PubChem CID 109231717) has the molecular formula C20H18ClN3O and a molecular weight of 351.84 g/mol. Its IUPAC name is N-benzyl-5-(3-chloro-2-methylanilino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-benzyl-5-(3-chloro-2-methylanilino)pyridine-3-carboxamide
PubChem CID109231717
Molecular FormulaC20H18ClN3O
Molecular Weight351.84 g/mol
Exact Mass351.11
IUPAC NameN-benzyl-5-(3-chloro-2-methylanilino)pyridine-3-carboxamide
SMILESCc1c(Cl)cccc1Nc1cncc(C(=O)NCc2ccccc2)c1
InChIInChI=1S/C20H18ClN3O/c1-14-18(21)8-5-9-19(14)24-17-10-16(12-22-13-17)20(25)23-11-15-6-3-2-4-7-15/h2-10,12-13,24H,11H2,1H3,(H,23,25)
InChIKeyQEKPGCVXTWXGRV-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

5-(3-chloro-2-methylanilino)-N-[2-(dimethylamino)ethyl]pyridine-3-carboxamide
CID 109229190
N-benzyl-5-(4-methylanilino)pyridine-3-carboxamide
CID 109231691
N-benzyl-5-(2-propan-2-yloxyanilino)pyridine-3-carboxamide
CID 109231733
5-(benzylamino)-N-[(3-methylphenyl)methyl]pyridine-3-carboxamide
CID 109231789
5-(3-chloro-2-methylanilino)-N-(2-propan-2-yloxyphenyl)pyridine-3-carboxamide
CID 109244694
5-[(2-chlorophenyl)methylamino]-N-[(3-methylphenyl)methyl]pyridine-3-carboxamide
CID 109232221
N-[(3-methylphenyl)methyl]-5-(2-propan-2-ylanilino)pyridine-3-carboxamide
CID 109232282
5-(benzylamino)-N-(2-chlorophenyl)pyridine-3-carboxamide
CID 109231871
5-(2,3-dichloroanilino)-N-propylpyridine-3-carboxamide
CID 109222945
5-anilino-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide
CID 109235531
N-[(3-methylphenyl)methyl]-5-(2-propan-2-yloxyanilino)pyridine-3-carboxamide
CID 109232306
5-(2,5-dichloroanilino)-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 109235330

Frequently Asked Questions

What is the IUPAC name of N-benzyl-5-(3-chloro-2-methylanilino)pyridine-3-carboxamide?
The IUPAC name of N-benzyl-5-(3-chloro-2-methylanilino)pyridine-3-carboxamide (CID 109231717) is N-benzyl-5-(3-chloro-2-methylanilino)pyridine-3-carboxamide.
What is the SMILES notation for N-benzyl-5-(3-chloro-2-methylanilino)pyridine-3-carboxamide?
The canonical SMILES for N-benzyl-5-(3-chloro-2-methylanilino)pyridine-3-carboxamide is Cc1c(Cl)cccc1Nc1cncc(C(=O)NCc2ccccc2)c1.
What is the InChIKey of N-benzyl-5-(3-chloro-2-methylanilino)pyridine-3-carboxamide?
The InChIKey is QEKPGCVXTWXGRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClN3O/c1-14-18(21)8-5-9-19(14)24-17-10-16(12-22-13-17)20(25)23-11-15-6-3-2-4-7-15/h2-10,12-13,24H,11H2,1H3,(H,23,25).
What are the key properties of N-benzyl-5-(3-chloro-2-methylanilino)pyridine-3-carboxamide?
N-benzyl-5-(3-chloro-2-methylanilino)pyridine-3-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-5-(3-chloro-2-methylanilino)pyridine-3-carboxamide is sourced from PubChem (CID 109231717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).