5-chloro-N-[(3-chloro-4-fluorophenyl)methyl]-6-(methylamino)pyridine-3-carboxamide

C14H12Cl2FN3O — CID 62531418

IUPAC5-chloro-N-[(3-chloro-4-fluorophenyl)methyl]-6-(methylamino)pyridine-3-carboxamide
SMILESCNc1ncc(C(=O)NCc2ccc(F)c(Cl)c2)cc1Cl
InChIInChI=1S/C14H12Cl2FN3O/c1-18-13-11(16)5-9(7-19-13)14(21)20-6-8-2-3-12(17)10(15)4-8/h2-5,7H,6H2,1H3,(H,18,19)(H,20,21)
InChIKeyQEZXBUCFRUCHNC-UHFFFAOYSA-N
MW328.17 g/mol
LogP3.50
Rot. Bonds4

About 5-chloro-N-[(3-chloro-4-fluorophenyl)methyl]-6-(methylamino)pyridine-3-carboxamide

5-chloro-N-[(3-chloro-4-fluorophenyl)methyl]-6-(methylamino)pyridine-3-carboxamide (PubChem CID 62531418) has the molecular formula C14H12Cl2FN3O and a molecular weight of 328.17 g/mol. Its IUPAC name is 5-chloro-N-[(3-chloro-4-fluorophenyl)methyl]-6-(methylamino)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[(3-chloro-4-fluorophenyl)methyl]-6-(methylamino)pyridine-3-carboxamide
PubChem CID62531418
Molecular FormulaC14H12Cl2FN3O
Molecular Weight328.17 g/mol
Exact Mass327.03
IUPAC Name5-chloro-N-[(3-chloro-4-fluorophenyl)methyl]-6-(methylamino)pyridine-3-carboxamide
SMILESCNc1ncc(C(=O)NCc2ccc(F)c(Cl)c2)cc1Cl
InChIInChI=1S/C14H12Cl2FN3O/c1-18-13-11(16)5-9(7-19-13)14(21)20-6-8-2-3-12(17)10(15)4-8/h2-5,7H,6H2,1H3,(H,18,19)(H,20,21)
InChIKeyQEZXBUCFRUCHNC-UHFFFAOYSA-N
XLogP3.50
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.17
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-N-[(4-fluorophenyl)methyl]-6-(methylamino)pyridine-3-carboxamide
CID 62167616
5,6-dichloro-N-[(3-chloro-4-fluorophenyl)methyl]pyridine-3-carboxamide
CID 62537774
5-chloro-N-[(4-methoxyphenyl)methyl]-6-(methylamino)pyridine-3-carboxamide
CID 62172418
5-chloro-N-[(2-methoxy-4-pyridinyl)methyl]-6-(methylamino)pyridine-3-carboxamide
CID 62990773
N-[(3-chloro-4-fluorophenyl)methyl]-4-ethylbenzamide
CID 71822306
N-[(3-chloro-4-fluorophenyl)methyl]benzamide
CID 62721837
N-[(3-chloro-4-fluorophenyl)methyl]-2-fluoropyridine-4-carboxamide
CID 62537287
5-chloro-N-[2-(4-hydroxyphenyl)ethyl]-6-(methylamino)pyridine-3-carboxamide
CID 62180449
N-[(3-chloro-4-fluorophenyl)methyl]-4-(methylamino)pyridine-3-carboxamide
CID 81240302
N-[(3-chloro-4-fluorophenyl)methyl]-6-pyrimidin-5-ylpyridine-3-carboxamide
CID 71841602
4-(aminomethyl)-N-[(3-chloro-4-fluorophenyl)methyl]benzamide
CID 62537954
1-[(3-chloro-4-fluorophenyl)methyl]-3-methylurea
CID 115603858

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(3-chloro-4-fluorophenyl)methyl]-6-(methylamino)pyridine-3-carboxamide?
The IUPAC name of 5-chloro-N-[(3-chloro-4-fluorophenyl)methyl]-6-(methylamino)pyridine-3-carboxamide (CID 62531418) is 5-chloro-N-[(3-chloro-4-fluorophenyl)methyl]-6-(methylamino)pyridine-3-carboxamide.
What is the SMILES notation for 5-chloro-N-[(3-chloro-4-fluorophenyl)methyl]-6-(methylamino)pyridine-3-carboxamide?
The canonical SMILES for 5-chloro-N-[(3-chloro-4-fluorophenyl)methyl]-6-(methylamino)pyridine-3-carboxamide is CNc1ncc(C(=O)NCc2ccc(F)c(Cl)c2)cc1Cl.
What is the InChIKey of 5-chloro-N-[(3-chloro-4-fluorophenyl)methyl]-6-(methylamino)pyridine-3-carboxamide?
The InChIKey is QEZXBUCFRUCHNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl2FN3O/c1-18-13-11(16)5-9(7-19-13)14(21)20-6-8-2-3-12(17)10(15)4-8/h2-5,7H,6H2,1H3,(H,18,19)(H,20,21).
What are the key properties of 5-chloro-N-[(3-chloro-4-fluorophenyl)methyl]-6-(methylamino)pyridine-3-carboxamide?
5-chloro-N-[(3-chloro-4-fluorophenyl)methyl]-6-(methylamino)pyridine-3-carboxamide has a molecular weight of 328.17 g/mol, XLogP of 3.50, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(3-chloro-4-fluorophenyl)methyl]-6-(methylamino)pyridine-3-carboxamide is sourced from PubChem (CID 62531418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).