6-amino-N-methyl-5-(2,3,5-trichlorophenyl)pyridine-2-carboxamide

C13H10Cl3N3O — CID 11659955

IUPAC6-amino-N-methyl-5-(2,3,5-trichlorophenyl)pyridine-2-carboxamide
SMILESCNC(=O)c1ccc(-c2cc(Cl)cc(Cl)c2Cl)c(N)n1
InChIInChI=1S/C13H10Cl3N3O/c1-18-13(20)10-3-2-7(12(17)19-10)8-4-6(14)5-9(15)11(8)16/h2-5H,1H3,(H2,17,19)(H,18,20)
InChIKeyHPIUHDCRVYDAEJ-UHFFFAOYSA-N
MW330.60 g/mol
LogP3.65
Rot. Bonds2

About 6-amino-N-methyl-5-(2,3,5-trichlorophenyl)pyridine-2-carboxamide

6-amino-N-methyl-5-(2,3,5-trichlorophenyl)pyridine-2-carboxamide (PubChem CID 11659955) has the molecular formula C13H10Cl3N3O and a molecular weight of 330.60 g/mol. Its IUPAC name is 6-amino-N-methyl-5-(2,3,5-trichlorophenyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name6-amino-N-methyl-5-(2,3,5-trichlorophenyl)pyridine-2-carboxamide
PubChem CID11659955
Molecular FormulaC13H10Cl3N3O
Molecular Weight330.60 g/mol
Exact Mass328.99
IUPAC Name6-amino-N-methyl-5-(2,3,5-trichlorophenyl)pyridine-2-carboxamide
SMILESCNC(=O)c1ccc(-c2cc(Cl)cc(Cl)c2Cl)c(N)n1
InChIInChI=1S/C13H10Cl3N3O/c1-18-13(20)10-3-2-7(12(17)19-10)8-4-6(14)5-9(15)11(8)16/h2-5H,1H3,(H2,17,19)(H,18,20)
InChIKeyHPIUHDCRVYDAEJ-UHFFFAOYSA-N
XLogP3.65
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.60
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

(3,4-Dichlorophenyl)-[4-[[[6-(dimethylamino)-2-pyridinyl]methylamino]methyl]-4-fluoropiperidin-1-yl]methanone
CID 10789182
2-chloro-N-[2-[(6-methyl-2-pyridinyl)amino]-2-oxoethyl]benzamide
CID 24686910
(3,4-Dichlorophenyl)-[4-[[[6-(dimethylamino)-2-pyridinyl]methylamino]methyl]piperidin-1-yl]methanone
CID 10550097
(3,4-Dichlorophenyl)-[4-[[[6-(methylamino)-2-pyridinyl]methylamino]methyl]piperidin-1-yl]methanone
CID 10787547
5-(aminomethyl)-4-(2,4-dichlorophenyl)-N,6-dimethylpicolinamide
CID 49837954
6-amino-N-methyl-5-(2,3,5-trichlorophenyl)pyridine-3-carboxamide
CID 68680505
5-cyano-4-(2,4-dichlorophenyl)-N,6-dimethylpicolinamide
CID 53322529
2-[(4-Amino-cyclohexyl)-methyl-amino]-5-(2,3-dichlorophenyl)-6-methyl-pyrimidine-4-carboxylic acid amide
CID 155095783
6-amino-5-(2-chlorophenyl)-N-methylpyridine-2-carboxamide
CID 122181194
6-amino-5-(3-chlorophenyl)-N-methylpyridine-2-carboxamide
CID 122181195
6-amino-5-(4-chlorophenyl)-N-methylpyridine-2-carboxamide
CID 122181196
6-amino-5-(2,5-dichlorophenyl)-N-methylpyridine-2-carboxamide
CID 122181197

Frequently Asked Questions

What is the IUPAC name of 6-amino-N-methyl-5-(2,3,5-trichlorophenyl)pyridine-2-carboxamide?
The IUPAC name of 6-amino-N-methyl-5-(2,3,5-trichlorophenyl)pyridine-2-carboxamide (CID 11659955) is 6-amino-N-methyl-5-(2,3,5-trichlorophenyl)pyridine-2-carboxamide.
What is the SMILES notation for 6-amino-N-methyl-5-(2,3,5-trichlorophenyl)pyridine-2-carboxamide?
The canonical SMILES for 6-amino-N-methyl-5-(2,3,5-trichlorophenyl)pyridine-2-carboxamide is CNC(=O)c1ccc(-c2cc(Cl)cc(Cl)c2Cl)c(N)n1.
What is the InChIKey of 6-amino-N-methyl-5-(2,3,5-trichlorophenyl)pyridine-2-carboxamide?
The InChIKey is HPIUHDCRVYDAEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Cl3N3O/c1-18-13(20)10-3-2-7(12(17)19-10)8-4-6(14)5-9(15)11(8)16/h2-5H,1H3,(H2,17,19)(H,18,20).
What are the key properties of 6-amino-N-methyl-5-(2,3,5-trichlorophenyl)pyridine-2-carboxamide?
6-amino-N-methyl-5-(2,3,5-trichlorophenyl)pyridine-2-carboxamide has a molecular weight of 330.60 g/mol, XLogP of 3.65, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-methyl-5-(2,3,5-trichlorophenyl)pyridine-2-carboxamide is sourced from PubChem (CID 11659955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).