N-benzyl-2-[(2-chloro-5-fluorobenzoyl)amino]pyridine-4-carboxamide

C20H15ClFN3O2 — CID 67153861

IUPACN-benzyl-2-[(2-chloro-5-fluorobenzoyl)amino]pyridine-4-carboxamide
SMILESO=C(NCc1ccccc1)c1ccnc(NC(=O)c2cc(F)ccc2Cl)c1
InChIInChI=1S/C20H15ClFN3O2/c21-17-7-6-15(22)11-16(17)20(27)25-18-10-14(8-9-23-18)19(26)24-12-13-4-2-1-3-5-13/h1-11H,12H2,(H,24,26)(H,23,25,27)
InChIKeyGJEHFWDNMXHIQE-UHFFFAOYSA-N
MW383.81 g/mol
LogP4.06
Rot. Bonds5

About N-benzyl-2-[(2-chloro-5-fluorobenzoyl)amino]pyridine-4-carboxamide

N-benzyl-2-[(2-chloro-5-fluorobenzoyl)amino]pyridine-4-carboxamide (PubChem CID 67153861) has the molecular formula C20H15ClFN3O2 and a molecular weight of 383.81 g/mol. Its IUPAC name is N-benzyl-2-[(2-chloro-5-fluorobenzoyl)amino]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-benzyl-2-[(2-chloro-5-fluorobenzoyl)amino]pyridine-4-carboxamide
PubChem CID67153861
Molecular FormulaC20H15ClFN3O2
Molecular Weight383.81 g/mol
Exact Mass383.08
IUPAC NameN-benzyl-2-[(2-chloro-5-fluorobenzoyl)amino]pyridine-4-carboxamide
SMILESO=C(NCc1ccccc1)c1ccnc(NC(=O)c2cc(F)ccc2Cl)c1
InChIInChI=1S/C20H15ClFN3O2/c21-17-7-6-15(22)11-16(17)20(27)25-18-10-14(8-9-23-18)19(26)24-12-13-4-2-1-3-5-13/h1-11H,12H2,(H,24,26)(H,23,25,27)
InChIKeyGJEHFWDNMXHIQE-UHFFFAOYSA-N
XLogP4.06
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.81
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-chlorophenyl)methyl]-2-(3-fluoroanilino)pyridine-4-carboxamide
CID 109170915
4-N-benzyl-2-N-[(4-fluorophenyl)methyl]pyridine-2,4-dicarboxamide
CID 109085281
N-benzyl-2-(2,3-dichloroanilino)pyridine-4-carboxamide
CID 109169498
N-[(4-chlorophenyl)methyl]-2-(2-phenylethylamino)pyridine-4-carboxamide
CID 109170866
2-N-benzyl-4-N-[(4-chlorophenyl)methyl]pyridine-2,4-dicarboxamide
CID 109085399
2-benzamido-N-[(2-fluorophenyl)methyl]pyridine-4-carboxamide
CID 67153947
4-chloro-1-N-[(4-chlorophenyl)methyl]-3-N-phenylbenzene-1,3-dicarboxamide
CID 171355386
N-benzyl-2-[2-(4-fluorophenyl)-2-oxoethyl]pyridine-4-carboxamide
CID 58247843
2-(2,6-difluoroanilino)-N-[(4-fluorophenyl)methyl]pyridine-4-carboxamide
CID 109170627
N-benzyl-2-[2-(3-chlorophenyl)ethylamino]pyridine-4-carboxamide
CID 109169452
N-[(4-chlorophenyl)methyl]-2-[2-(2-fluorophenyl)ethylamino]pyridine-4-carboxamide
CID 109170868
N-benzyl-2-(3-phenylpropylamino)pyridine-4-carboxamide
CID 109169444

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[(2-chloro-5-fluorobenzoyl)amino]pyridine-4-carboxamide?
The IUPAC name of N-benzyl-2-[(2-chloro-5-fluorobenzoyl)amino]pyridine-4-carboxamide (CID 67153861) is N-benzyl-2-[(2-chloro-5-fluorobenzoyl)amino]pyridine-4-carboxamide.
What is the SMILES notation for N-benzyl-2-[(2-chloro-5-fluorobenzoyl)amino]pyridine-4-carboxamide?
The canonical SMILES for N-benzyl-2-[(2-chloro-5-fluorobenzoyl)amino]pyridine-4-carboxamide is O=C(NCc1ccccc1)c1ccnc(NC(=O)c2cc(F)ccc2Cl)c1.
What is the InChIKey of N-benzyl-2-[(2-chloro-5-fluorobenzoyl)amino]pyridine-4-carboxamide?
The InChIKey is GJEHFWDNMXHIQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClFN3O2/c21-17-7-6-15(22)11-16(17)20(27)25-18-10-14(8-9-23-18)19(26)24-12-13-4-2-1-3-5-13/h1-11H,12H2,(H,24,26)(H,23,25,27).
What are the key properties of N-benzyl-2-[(2-chloro-5-fluorobenzoyl)amino]pyridine-4-carboxamide?
N-benzyl-2-[(2-chloro-5-fluorobenzoyl)amino]pyridine-4-carboxamide has a molecular weight of 383.81 g/mol, XLogP of 4.06, 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-chloro-5-fluorobenzoyl)amino]pyridine-4-carboxamide is sourced from PubChem (CID 67153861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).