4-chloro-6-(methylamino)pyridine-3-carboxamide

C7H8ClN3O — CID 156831806

IUPAC4-chloro-6-(methylamino)pyridine-3-carboxamide
SMILESCNc1cc(Cl)c(C(N)=O)cn1
InChIInChI=1S/C7H8ClN3O/c1-10-6-2-5(8)4(3-11-6)7(9)12/h2-3H,1H3,(H2,9,12)(H,10,11)
InChIKeyWZNOVMVKLXQQQQ-UHFFFAOYSA-N
MW185.61 g/mol
LogP0.88
Rot. Bonds2

About 4-chloro-6-(methylamino)pyridine-3-carboxamide

4-chloro-6-(methylamino)pyridine-3-carboxamide (PubChem CID 156831806) has the molecular formula C7H8ClN3O and a molecular weight of 185.61 g/mol. Its IUPAC name is 4-chloro-6-(methylamino)pyridine-3-carboxamide.

Molecular Properties

Compound Name4-chloro-6-(methylamino)pyridine-3-carboxamide
PubChem CID156831806
Molecular FormulaC7H8ClN3O
Molecular Weight185.61 g/mol
Exact Mass185.04
IUPAC Name4-chloro-6-(methylamino)pyridine-3-carboxamide
SMILESCNc1cc(Cl)c(C(N)=O)cn1
InChIInChI=1S/C7H8ClN3O/c1-10-6-2-5(8)4(3-11-6)7(9)12/h2-3H,1H3,(H2,9,12)(H,10,11)
InChIKeyWZNOVMVKLXQQQQ-UHFFFAOYSA-N
XLogP0.88
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.61
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(methylamino)pyridine-3-carboxamide?
The IUPAC name of 4-chloro-6-(methylamino)pyridine-3-carboxamide (CID 156831806) is 4-chloro-6-(methylamino)pyridine-3-carboxamide.
What is the SMILES notation for 4-chloro-6-(methylamino)pyridine-3-carboxamide?
The canonical SMILES for 4-chloro-6-(methylamino)pyridine-3-carboxamide is CNc1cc(Cl)c(C(N)=O)cn1.
What is the InChIKey of 4-chloro-6-(methylamino)pyridine-3-carboxamide?
The InChIKey is WZNOVMVKLXQQQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8ClN3O/c1-10-6-2-5(8)4(3-11-6)7(9)12/h2-3H,1H3,(H2,9,12)(H,10,11).
What are the key properties of 4-chloro-6-(methylamino)pyridine-3-carboxamide?
4-chloro-6-(methylamino)pyridine-3-carboxamide has a molecular weight of 185.61 g/mol, XLogP of 0.88, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(methylamino)pyridine-3-carboxamide is sourced from PubChem (CID 156831806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).