6-(aminomethyl)-4-(2,4-dichlorophenyl)-2-methylpyridine-3-carboxamide

C14H13Cl2N3O — CID 53319951

IUPAC6-(aminomethyl)-4-(2,4-dichlorophenyl)-2-methylpyridine-3-carboxamide
SMILESCc1nc(CN)cc(-c2ccc(Cl)cc2Cl)c1C(N)=O
InChIInChI=1S/C14H13Cl2N3O/c1-7-13(14(18)20)11(5-9(6-17)19-7)10-3-2-8(15)4-12(10)16/h2-5H,6,17H2,1H3,(H2,18,20)
InChIKeyCQZPUEQAWQFHMQ-UHFFFAOYSA-N
MW310.18 g/mol
LogP2.92
Rot. Bonds3

About 6-(aminomethyl)-4-(2,4-dichlorophenyl)-2-methylpyridine-3-carboxamide

6-(aminomethyl)-4-(2,4-dichlorophenyl)-2-methylpyridine-3-carboxamide (PubChem CID 53319951) has the molecular formula C14H13Cl2N3O and a molecular weight of 310.18 g/mol. Its IUPAC name is 6-(aminomethyl)-4-(2,4-dichlorophenyl)-2-methylpyridine-3-carboxamide.

Molecular Properties

Compound Name6-(aminomethyl)-4-(2,4-dichlorophenyl)-2-methylpyridine-3-carboxamide
PubChem CID53319951
Molecular FormulaC14H13Cl2N3O
Molecular Weight310.18 g/mol
Exact Mass309.04
IUPAC Name6-(aminomethyl)-4-(2,4-dichlorophenyl)-2-methylpyridine-3-carboxamide
SMILESCc1nc(CN)cc(-c2ccc(Cl)cc2Cl)c1C(N)=O
InChIInChI=1S/C14H13Cl2N3O/c1-7-13(14(18)20)11(5-9(6-17)19-7)10-3-2-8(15)4-12(10)16/h2-5H,6,17H2,1H3,(H2,18,20)
InChIKeyCQZPUEQAWQFHMQ-UHFFFAOYSA-N
XLogP2.92
TPSA82.00 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.18
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(aminomethyl)-4-(2,4-dichlorophenyl)-2-methylpyridine-3-carboxamide?
The IUPAC name of 6-(aminomethyl)-4-(2,4-dichlorophenyl)-2-methylpyridine-3-carboxamide (CID 53319951) is 6-(aminomethyl)-4-(2,4-dichlorophenyl)-2-methylpyridine-3-carboxamide.
What is the SMILES notation for 6-(aminomethyl)-4-(2,4-dichlorophenyl)-2-methylpyridine-3-carboxamide?
The canonical SMILES for 6-(aminomethyl)-4-(2,4-dichlorophenyl)-2-methylpyridine-3-carboxamide is Cc1nc(CN)cc(-c2ccc(Cl)cc2Cl)c1C(N)=O.
What is the InChIKey of 6-(aminomethyl)-4-(2,4-dichlorophenyl)-2-methylpyridine-3-carboxamide?
The InChIKey is CQZPUEQAWQFHMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Cl2N3O/c1-7-13(14(18)20)11(5-9(6-17)19-7)10-3-2-8(15)4-12(10)16/h2-5H,6,17H2,1H3,(H2,18,20).
What are the key properties of 6-(aminomethyl)-4-(2,4-dichlorophenyl)-2-methylpyridine-3-carboxamide?
6-(aminomethyl)-4-(2,4-dichlorophenyl)-2-methylpyridine-3-carboxamide has a molecular weight of 310.18 g/mol, XLogP of 2.92, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(aminomethyl)-4-(2,4-dichlorophenyl)-2-methylpyridine-3-carboxamide is sourced from PubChem (CID 53319951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).