2-chloro-N-(4,6-dimethyl-2-pyridinyl)-6-propylpyridine-4-carboxamide

C16H18ClN3O — CID 114932118

IUPAC2-chloro-N-(4,6-dimethyl-2-pyridinyl)-6-propylpyridine-4-carboxamide
SMILESCCCc1cc(C(=O)Nc2cc(C)cc(C)n2)cc(Cl)n1
InChIInChI=1S/C16H18ClN3O/c1-4-5-13-8-12(9-14(17)19-13)16(21)20-15-7-10(2)6-11(3)18-15/h6-9H,4-5H2,1-3H3,(H,18,20,21)
InChIKeyCDJAPZYLTPSBMQ-UHFFFAOYSA-N
MW303.79 g/mol
LogP3.95
Rot. Bonds4

About 2-chloro-N-(4,6-dimethyl-2-pyridinyl)-6-propylpyridine-4-carboxamide

2-chloro-N-(4,6-dimethyl-2-pyridinyl)-6-propylpyridine-4-carboxamide (PubChem CID 114932118) has the molecular formula C16H18ClN3O and a molecular weight of 303.79 g/mol. Its IUPAC name is 2-chloro-N-(4,6-dimethyl-2-pyridinyl)-6-propylpyridine-4-carboxamide.

Molecular Properties

Compound Name2-chloro-N-(4,6-dimethyl-2-pyridinyl)-6-propylpyridine-4-carboxamide
PubChem CID114932118
Molecular FormulaC16H18ClN3O
Molecular Weight303.79 g/mol
Exact Mass303.11
IUPAC Name2-chloro-N-(4,6-dimethyl-2-pyridinyl)-6-propylpyridine-4-carboxamide
SMILESCCCc1cc(C(=O)Nc2cc(C)cc(C)n2)cc(Cl)n1
InChIInChI=1S/C16H18ClN3O/c1-4-5-13-8-12(9-14(17)19-13)16(21)20-15-7-10(2)6-11(3)18-15/h6-9H,4-5H2,1-3H3,(H,18,20,21)
InChIKeyCDJAPZYLTPSBMQ-UHFFFAOYSA-N
XLogP3.95
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.79
LogP ≤ 53.95
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-chloro-N-(5,6-dimethyl-1,2,4-triazin-3-yl)-6-propylpyridine-4-carboxamide
CID 114387285
2-chloro-N-(3-hydroxy-4-methylphenyl)-6-propylpyridine-4-carboxamide
CID 107701218
N-tert-butyl-2-chloro-6-propylpyridine-4-carboxamide
CID 113379664
N-(2-acetamidoethyl)-2-chloro-6-propylpyridine-4-carboxamide
CID 113379769
2-chloro-N-(2-methylbutan-2-yl)-6-propylpyridine-4-carboxamide
CID 113379658
N-(4,6-dimethyl-2-pyridinyl)-2-hydrazinyl-6-methylpyridine-4-carboxamide
CID 114933274
N-(4,6-dimethyl-2-pyridinyl)-3,4,5-trifluorobenzamide
CID 115750579
2-chloro-N-[2-(dimethylamino)-2-oxoethyl]-6-propylpyridine-4-carboxamide
CID 113379751
2-chloro-N-(2-methylbutyl)-6-propylpyridine-4-carboxamide
CID 113379911
N-(4,6-dimethyl-2-pyridinyl)-2-(ethylamino)pyridine-4-carboxamide
CID 115750707
N-(3-bromo-5-methylphenyl)-2-chloro-6-ethylpyridine-4-carboxamide
CID 107582987
2-chloro-N-ethyl-6-methylpyridine-4-carboxamide
CID 89150895

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(4,6-dimethyl-2-pyridinyl)-6-propylpyridine-4-carboxamide?
The IUPAC name of 2-chloro-N-(4,6-dimethyl-2-pyridinyl)-6-propylpyridine-4-carboxamide (CID 114932118) is 2-chloro-N-(4,6-dimethyl-2-pyridinyl)-6-propylpyridine-4-carboxamide.
What is the SMILES notation for 2-chloro-N-(4,6-dimethyl-2-pyridinyl)-6-propylpyridine-4-carboxamide?
The canonical SMILES for 2-chloro-N-(4,6-dimethyl-2-pyridinyl)-6-propylpyridine-4-carboxamide is CCCc1cc(C(=O)Nc2cc(C)cc(C)n2)cc(Cl)n1.
What is the InChIKey of 2-chloro-N-(4,6-dimethyl-2-pyridinyl)-6-propylpyridine-4-carboxamide?
The InChIKey is CDJAPZYLTPSBMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3O/c1-4-5-13-8-12(9-14(17)19-13)16(21)20-15-7-10(2)6-11(3)18-15/h6-9H,4-5H2,1-3H3,(H,18,20,21).
What are the key properties of 2-chloro-N-(4,6-dimethyl-2-pyridinyl)-6-propylpyridine-4-carboxamide?
2-chloro-N-(4,6-dimethyl-2-pyridinyl)-6-propylpyridine-4-carboxamide has a molecular weight of 303.79 g/mol, XLogP of 3.95, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(4,6-dimethyl-2-pyridinyl)-6-propylpyridine-4-carboxamide is sourced from PubChem (CID 114932118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).