N-benzyl-2-(2,3-dichloroanilino)pyridine-4-carboxamide

C19H15Cl2N3O — CID 109169498

IUPACN-benzyl-2-(2,3-dichloroanilino)pyridine-4-carboxamide
SMILESO=C(NCc1ccccc1)c1ccnc(Nc2cccc(Cl)c2Cl)c1
InChIInChI=1S/C19H15Cl2N3O/c20-15-7-4-8-16(18(15)21)24-17-11-14(9-10-22-17)19(25)23-12-13-5-2-1-3-6-13/h1-11H,12H2,(H,22,24)(H,23,25)
InChIKeyNMNNYYDADRPDKM-UHFFFAOYSA-N
MW372.26 g/mol
LogP5.06
Rot. Bonds5

About N-benzyl-2-(2,3-dichloroanilino)pyridine-4-carboxamide

N-benzyl-2-(2,3-dichloroanilino)pyridine-4-carboxamide (PubChem CID 109169498) has the molecular formula C19H15Cl2N3O and a molecular weight of 372.26 g/mol. Its IUPAC name is N-benzyl-2-(2,3-dichloroanilino)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-benzyl-2-(2,3-dichloroanilino)pyridine-4-carboxamide
PubChem CID109169498
Molecular FormulaC19H15Cl2N3O
Molecular Weight372.26 g/mol
Exact Mass371.06
IUPAC NameN-benzyl-2-(2,3-dichloroanilino)pyridine-4-carboxamide
SMILESO=C(NCc1ccccc1)c1ccnc(Nc2cccc(Cl)c2Cl)c1
InChIInChI=1S/C19H15Cl2N3O/c20-15-7-4-8-16(18(15)21)24-17-11-14(9-10-22-17)19(25)23-12-13-5-2-1-3-6-13/h1-11H,12H2,(H,22,24)(H,23,25)
InChIKeyNMNNYYDADRPDKM-UHFFFAOYSA-N
XLogP5.06
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.26
LogP ≤ 55.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-2-(4-chloro-2-methylanilino)pyridine-4-carboxamide
CID 109169457
6-(2,3-dichloroanilino)-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide
CID 109158193
N-benzyl-2-(2-bromo-4-methylanilino)pyridine-4-carboxamide
CID 109169486
N-[(4-chlorophenyl)methyl]-2-(2-ethoxyanilino)pyridine-4-carboxamide
CID 109170899
N-benzyl-2-[2-(3-chlorophenyl)ethylamino]pyridine-4-carboxamide
CID 109169452
N-benzyl-2-(4-tert-butylanilino)pyridine-4-carboxamide
CID 109169454
2-amino-N-benzylpyridine-4-carboxamide
CID 18752897
N-benzyl-2-[(2-chloro-5-fluorobenzoyl)amino]pyridine-4-carboxamide
CID 67153861
methyl 2-[[4-[(2-chlorophenyl)methylcarbamoyl]-2-pyridinyl]amino]benzoate
CID 109170771
1-N-benzyl-3-N-(2-chlorophenyl)benzene-1,3-dicarboxamide
CID 109054143
N-[(4-chlorophenyl)methyl]-2-(2-phenylethylamino)pyridine-4-carboxamide
CID 109170866
2-(2-phenoxyanilino)-N-(pyridin-3-ylmethyl)pyridine-4-carboxamide
CID 109171882

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(2,3-dichloroanilino)pyridine-4-carboxamide?
The IUPAC name of N-benzyl-2-(2,3-dichloroanilino)pyridine-4-carboxamide (CID 109169498) is N-benzyl-2-(2,3-dichloroanilino)pyridine-4-carboxamide.
What is the SMILES notation for N-benzyl-2-(2,3-dichloroanilino)pyridine-4-carboxamide?
The canonical SMILES for N-benzyl-2-(2,3-dichloroanilino)pyridine-4-carboxamide is O=C(NCc1ccccc1)c1ccnc(Nc2cccc(Cl)c2Cl)c1.
What is the InChIKey of N-benzyl-2-(2,3-dichloroanilino)pyridine-4-carboxamide?
The InChIKey is NMNNYYDADRPDKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15Cl2N3O/c20-15-7-4-8-16(18(15)21)24-17-11-14(9-10-22-17)19(25)23-12-13-5-2-1-3-6-13/h1-11H,12H2,(H,22,24)(H,23,25).
What are the key properties of N-benzyl-2-(2,3-dichloroanilino)pyridine-4-carboxamide?
N-benzyl-2-(2,3-dichloroanilino)pyridine-4-carboxamide has a molecular weight of 372.26 g/mol, XLogP of 5.06, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(2,3-dichloroanilino)pyridine-4-carboxamide is sourced from PubChem (CID 109169498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).