2-chloro-N-[2-(dimethylamino)-2-oxoethyl]-6-propylpyridine-4-carboxamide

C13H18ClN3O2 — CID 113379751

IUPAC2-chloro-N-[2-(dimethylamino)-2-oxoethyl]-6-propylpyridine-4-carboxamide
SMILESCCCc1cc(C(=O)NCC(=O)N(C)C)cc(Cl)n1
InChIInChI=1S/C13H18ClN3O2/c1-4-5-10-6-9(7-11(14)16-10)13(19)15-8-12(18)17(2)3/h6-7H,4-5,8H2,1-3H3,(H,15,19)
InChIKeyIBLMKUNGNZIDQO-UHFFFAOYSA-N
MW283.76 g/mol
LogP1.51
Rot. Bonds5

About 2-chloro-N-[2-(dimethylamino)-2-oxoethyl]-6-propylpyridine-4-carboxamide

2-chloro-N-[2-(dimethylamino)-2-oxoethyl]-6-propylpyridine-4-carboxamide (PubChem CID 113379751) has the molecular formula C13H18ClN3O2 and a molecular weight of 283.76 g/mol. Its IUPAC name is 2-chloro-N-[2-(dimethylamino)-2-oxoethyl]-6-propylpyridine-4-carboxamide.

Molecular Properties

Compound Name2-chloro-N-[2-(dimethylamino)-2-oxoethyl]-6-propylpyridine-4-carboxamide
PubChem CID113379751
Molecular FormulaC13H18ClN3O2
Molecular Weight283.76 g/mol
Exact Mass283.11
IUPAC Name2-chloro-N-[2-(dimethylamino)-2-oxoethyl]-6-propylpyridine-4-carboxamide
SMILESCCCc1cc(C(=O)NCC(=O)N(C)C)cc(Cl)n1
InChIInChI=1S/C13H18ClN3O2/c1-4-5-10-6-9(7-11(14)16-10)13(19)15-8-12(18)17(2)3/h6-7H,4-5,8H2,1-3H3,(H,15,19)
InChIKeyIBLMKUNGNZIDQO-UHFFFAOYSA-N
XLogP1.51
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.76
LogP ≤ 51.51
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

N-(2-acetamidoethyl)-2-chloro-6-propylpyridine-4-carboxamide
CID 113379769
2-chloro-N-[2-(dimethylsulfamoyl)ethyl]-6-propylpyridine-4-carboxamide
CID 106336199
2-chloro-N-(2-methylbutyl)-6-propylpyridine-4-carboxamide
CID 113379911
N-tert-butyl-2-chloro-6-propylpyridine-4-carboxamide
CID 113379664
2-chloro-N-(2-propan-2-yloxyethyl)-6-propylpyridine-4-carboxamide
CID 113450078
2-chloro-N-(2-methylbutan-2-yl)-6-propylpyridine-4-carboxamide
CID 113379658
2-chloro-N-(2-methoxyethyl)-N-methyl-6-propylpyridine-4-carboxamide
CID 113379836
2-chloro-6-propyl-N-(1H-1,2,4-triazol-5-ylmethyl)pyridine-4-carboxamide
CID 113379796
2-chloro-N-(1,2-oxazol-5-ylmethyl)-6-propylpyridine-4-carboxamide
CID 106415797
2-chloro-N-[2-(2-methylpyrazol-3-yl)ethyl]-6-propylpyridine-4-carboxamide
CID 103005653
2-chloro-N-[(3-methyl-4-pyridinyl)methyl]-6-propylpyridine-4-carboxamide
CID 114699468
2-chloro-N-[(3-hydroxycyclohexyl)methyl]-6-propylpyridine-4-carboxamide
CID 106120801

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-(dimethylamino)-2-oxoethyl]-6-propylpyridine-4-carboxamide?
The IUPAC name of 2-chloro-N-[2-(dimethylamino)-2-oxoethyl]-6-propylpyridine-4-carboxamide (CID 113379751) is 2-chloro-N-[2-(dimethylamino)-2-oxoethyl]-6-propylpyridine-4-carboxamide.
What is the SMILES notation for 2-chloro-N-[2-(dimethylamino)-2-oxoethyl]-6-propylpyridine-4-carboxamide?
The canonical SMILES for 2-chloro-N-[2-(dimethylamino)-2-oxoethyl]-6-propylpyridine-4-carboxamide is CCCc1cc(C(=O)NCC(=O)N(C)C)cc(Cl)n1.
What is the InChIKey of 2-chloro-N-[2-(dimethylamino)-2-oxoethyl]-6-propylpyridine-4-carboxamide?
The InChIKey is IBLMKUNGNZIDQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN3O2/c1-4-5-10-6-9(7-11(14)16-10)13(19)15-8-12(18)17(2)3/h6-7H,4-5,8H2,1-3H3,(H,15,19).
What are the key properties of 2-chloro-N-[2-(dimethylamino)-2-oxoethyl]-6-propylpyridine-4-carboxamide?
2-chloro-N-[2-(dimethylamino)-2-oxoethyl]-6-propylpyridine-4-carboxamide has a molecular weight of 283.76 g/mol, XLogP of 1.51, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-(dimethylamino)-2-oxoethyl]-6-propylpyridine-4-carboxamide is sourced from PubChem (CID 113379751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).