6-chloro-5-methyl-N-propylpyridine-2-carboxamide

C10H13ClN2O — CID 11790543

IUPAC6-chloro-5-methyl-N-propylpyridine-2-carboxamide
SMILESCCCNC(=O)c1ccc(C)c(Cl)n1
InChIInChI=1S/C10H13ClN2O/c1-3-6-12-10(14)8-5-4-7(2)9(11)13-8/h4-5H,3,6H2,1-2H3,(H,12,14)
InChIKeyXCTADHVPXPKDFV-UHFFFAOYSA-N
MW212.68 g/mol
LogP2.18
Rot. Bonds3

About 6-chloro-5-methyl-N-propylpyridine-2-carboxamide

6-chloro-5-methyl-N-propylpyridine-2-carboxamide (PubChem CID 11790543) has the molecular formula C10H13ClN2O and a molecular weight of 212.68 g/mol. Its IUPAC name is 6-chloro-5-methyl-N-propylpyridine-2-carboxamide.

Molecular Properties

Compound Name6-chloro-5-methyl-N-propylpyridine-2-carboxamide
PubChem CID11790543
Molecular FormulaC10H13ClN2O
Molecular Weight212.68 g/mol
Exact Mass212.07
IUPAC Name6-chloro-5-methyl-N-propylpyridine-2-carboxamide
SMILESCCCNC(=O)c1ccc(C)c(Cl)n1
InChIInChI=1S/C10H13ClN2O/c1-3-6-12-10(14)8-5-4-7(2)9(11)13-8/h4-5H,3,6H2,1-2H3,(H,12,14)
InChIKeyXCTADHVPXPKDFV-UHFFFAOYSA-N
XLogP2.18
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.68
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-5-methyl-N-propylpyridine-2-carboxamide?
The IUPAC name of 6-chloro-5-methyl-N-propylpyridine-2-carboxamide (CID 11790543) is 6-chloro-5-methyl-N-propylpyridine-2-carboxamide.
What is the SMILES notation for 6-chloro-5-methyl-N-propylpyridine-2-carboxamide?
The canonical SMILES for 6-chloro-5-methyl-N-propylpyridine-2-carboxamide is CCCNC(=O)c1ccc(C)c(Cl)n1.
What is the InChIKey of 6-chloro-5-methyl-N-propylpyridine-2-carboxamide?
The InChIKey is XCTADHVPXPKDFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN2O/c1-3-6-12-10(14)8-5-4-7(2)9(11)13-8/h4-5H,3,6H2,1-2H3,(H,12,14).
What are the key properties of 6-chloro-5-methyl-N-propylpyridine-2-carboxamide?
6-chloro-5-methyl-N-propylpyridine-2-carboxamide has a molecular weight of 212.68 g/mol, XLogP of 2.18, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5-methyl-N-propylpyridine-2-carboxamide is sourced from PubChem (CID 11790543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).