6-chloro-N-(2,4,6-trimethyl-3-pyridinyl)pyridine-3-carboxamide

C14H14ClN3O — CID 78837599

IUPAC6-chloro-N-(2,4,6-trimethyl-3-pyridinyl)pyridine-3-carboxamide
SMILESCc1cc(C)c(NC(=O)c2ccc(Cl)nc2)c(C)n1
InChIInChI=1S/C14H14ClN3O/c1-8-6-9(2)17-10(3)13(8)18-14(19)11-4-5-12(15)16-7-11/h4-7H,1-3H3,(H,18,19)
InChIKeyRKVOLWWFTZKVAC-UHFFFAOYSA-N
MW275.74 g/mol
LogP3.31
Rot. Bonds2

About 6-chloro-N-(2,4,6-trimethyl-3-pyridinyl)pyridine-3-carboxamide

6-chloro-N-(2,4,6-trimethyl-3-pyridinyl)pyridine-3-carboxamide (PubChem CID 78837599) has the molecular formula C14H14ClN3O and a molecular weight of 275.74 g/mol. Its IUPAC name is 6-chloro-N-(2,4,6-trimethyl-3-pyridinyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-chloro-N-(2,4,6-trimethyl-3-pyridinyl)pyridine-3-carboxamide
PubChem CID78837599
Molecular FormulaC14H14ClN3O
Molecular Weight275.74 g/mol
Exact Mass275.08
IUPAC Name6-chloro-N-(2,4,6-trimethyl-3-pyridinyl)pyridine-3-carboxamide
SMILESCc1cc(C)c(NC(=O)c2ccc(Cl)nc2)c(C)n1
InChIInChI=1S/C14H14ClN3O/c1-8-6-9(2)17-10(3)13(8)18-14(19)11-4-5-12(15)16-7-11/h4-7H,1-3H3,(H,18,19)
InChIKeyRKVOLWWFTZKVAC-UHFFFAOYSA-N
XLogP3.31
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.74
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 6-chloro-N-(2,4,6-trimethyl-3-pyridinyl)pyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(2,4,6-trimethyl-3-pyridinyl)pyridine-3-carboxamide?
The IUPAC name of 6-chloro-N-(2,4,6-trimethyl-3-pyridinyl)pyridine-3-carboxamide (CID 78837599) is 6-chloro-N-(2,4,6-trimethyl-3-pyridinyl)pyridine-3-carboxamide.
What is the SMILES notation for 6-chloro-N-(2,4,6-trimethyl-3-pyridinyl)pyridine-3-carboxamide?
The canonical SMILES for 6-chloro-N-(2,4,6-trimethyl-3-pyridinyl)pyridine-3-carboxamide is Cc1cc(C)c(NC(=O)c2ccc(Cl)nc2)c(C)n1.
What is the InChIKey of 6-chloro-N-(2,4,6-trimethyl-3-pyridinyl)pyridine-3-carboxamide?
The InChIKey is RKVOLWWFTZKVAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN3O/c1-8-6-9(2)17-10(3)13(8)18-14(19)11-4-5-12(15)16-7-11/h4-7H,1-3H3,(H,18,19).
What are the key properties of 6-chloro-N-(2,4,6-trimethyl-3-pyridinyl)pyridine-3-carboxamide?
6-chloro-N-(2,4,6-trimethyl-3-pyridinyl)pyridine-3-carboxamide has a molecular weight of 275.74 g/mol, XLogP of 3.31, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(2,4,6-trimethyl-3-pyridinyl)pyridine-3-carboxamide is sourced from PubChem (CID 78837599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).