6-chloro-N-(4-methyl-2-propoxyphenyl)pyridine-2-carboxamide

C16H17ClN2O2 — CID 62233815

IUPAC6-chloro-N-(4-methyl-2-propoxyphenyl)pyridine-2-carboxamide
SMILESCCCOc1cc(C)ccc1NC(=O)c1cccc(Cl)n1
InChIInChI=1S/C16H17ClN2O2/c1-3-9-21-14-10-11(2)7-8-12(14)19-16(20)13-5-4-6-15(17)18-13/h4-8,10H,3,9H2,1-2H3,(H,19,20)
InChIKeyDCEIAGSCNZVXDJ-UHFFFAOYSA-N
MW304.78 g/mol
LogP4.08
Rot. Bonds5

About 6-chloro-N-(4-methyl-2-propoxyphenyl)pyridine-2-carboxamide

6-chloro-N-(4-methyl-2-propoxyphenyl)pyridine-2-carboxamide (PubChem CID 62233815) has the molecular formula C16H17ClN2O2 and a molecular weight of 304.78 g/mol. Its IUPAC name is 6-chloro-N-(4-methyl-2-propoxyphenyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name6-chloro-N-(4-methyl-2-propoxyphenyl)pyridine-2-carboxamide
PubChem CID62233815
Molecular FormulaC16H17ClN2O2
Molecular Weight304.78 g/mol
Exact Mass304.10
IUPAC Name6-chloro-N-(4-methyl-2-propoxyphenyl)pyridine-2-carboxamide
SMILESCCCOc1cc(C)ccc1NC(=O)c1cccc(Cl)n1
InChIInChI=1S/C16H17ClN2O2/c1-3-9-21-14-10-11(2)7-8-12(14)19-16(20)13-5-4-6-15(17)18-13/h4-8,10H,3,9H2,1-2H3,(H,19,20)
InChIKeyDCEIAGSCNZVXDJ-UHFFFAOYSA-N
XLogP4.08
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.78
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,6-dichloro-N-(4-methyl-2-propoxyphenyl)pyridine-4-carboxamide
CID 87023490
6-chloro-N-(3-chloro-4-propoxyphenyl)pyridine-2-carboxamide
CID 62234356
N-(4-methyl-2-propoxyphenyl)naphthalene-1-carboxamide
CID 60534076
2-chloro-N-(4-methyl-2-propoxyphenyl)furan-3-carboxamide
CID 106685527
phenyl N-(4-methyl-2-propoxyphenyl)carbamate
CID 61216988
N-(5-chloro-2-propoxyphenyl)-6-fluoropyridine-2-carboxamide
CID 115496886
N-(4-methyl-2-propoxyphenyl)butanamide
CID 61061572
2-methyl-N-(4-methyl-2-propoxyphenyl)propanamide
CID 61062170
2-bromo-N-(4-methyl-2-propoxyphenyl)pyridine-4-carboxamide
CID 103754686
2-methoxy-N-(4-methyl-2-propoxyphenyl)acetamide
CID 61062328
5-[[2-(2-methoxyethoxy)-4-methylphenyl]carbamoyl]pyrazine-2-carboxylic acid
CID 120685047
4,5-dibromo-N-(4-methyl-2-propoxyphenyl)thiophene-2-carboxamide
CID 80534122

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(4-methyl-2-propoxyphenyl)pyridine-2-carboxamide?
The IUPAC name of 6-chloro-N-(4-methyl-2-propoxyphenyl)pyridine-2-carboxamide (CID 62233815) is 6-chloro-N-(4-methyl-2-propoxyphenyl)pyridine-2-carboxamide.
What is the SMILES notation for 6-chloro-N-(4-methyl-2-propoxyphenyl)pyridine-2-carboxamide?
The canonical SMILES for 6-chloro-N-(4-methyl-2-propoxyphenyl)pyridine-2-carboxamide is CCCOc1cc(C)ccc1NC(=O)c1cccc(Cl)n1.
What is the InChIKey of 6-chloro-N-(4-methyl-2-propoxyphenyl)pyridine-2-carboxamide?
The InChIKey is DCEIAGSCNZVXDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O2/c1-3-9-21-14-10-11(2)7-8-12(14)19-16(20)13-5-4-6-15(17)18-13/h4-8,10H,3,9H2,1-2H3,(H,19,20).
What are the key properties of 6-chloro-N-(4-methyl-2-propoxyphenyl)pyridine-2-carboxamide?
6-chloro-N-(4-methyl-2-propoxyphenyl)pyridine-2-carboxamide has a molecular weight of 304.78 g/mol, XLogP of 4.08, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(4-methyl-2-propoxyphenyl)pyridine-2-carboxamide is sourced from PubChem (CID 62233815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).