4-chloro-N-[3-(dimethylamino)propyl]-N-ethyl-6-methylpyridine-3-carboxamide

C14H22ClN3O — CID 102978950

IUPAC4-chloro-N-[3-(dimethylamino)propyl]-N-ethyl-6-methylpyridine-3-carboxamide
SMILESCCN(CCCN(C)C)C(=O)c1cnc(C)cc1Cl
InChIInChI=1S/C14H22ClN3O/c1-5-18(8-6-7-17(3)4)14(19)12-10-16-11(2)9-13(12)15/h9-10H,5-8H2,1-4H3
InChIKeyCHQIMNDJMDUYES-UHFFFAOYSA-N
MW283.80 g/mol
LogP2.46
Rot. Bonds6

About 4-chloro-N-[3-(dimethylamino)propyl]-N-ethyl-6-methylpyridine-3-carboxamide

4-chloro-N-[3-(dimethylamino)propyl]-N-ethyl-6-methylpyridine-3-carboxamide (PubChem CID 102978950) has the molecular formula C14H22ClN3O and a molecular weight of 283.80 g/mol. Its IUPAC name is 4-chloro-N-[3-(dimethylamino)propyl]-N-ethyl-6-methylpyridine-3-carboxamide.

Molecular Properties

Compound Name4-chloro-N-[3-(dimethylamino)propyl]-N-ethyl-6-methylpyridine-3-carboxamide
PubChem CID102978950
Molecular FormulaC14H22ClN3O
Molecular Weight283.80 g/mol
Exact Mass283.15
IUPAC Name4-chloro-N-[3-(dimethylamino)propyl]-N-ethyl-6-methylpyridine-3-carboxamide
SMILESCCN(CCCN(C)C)C(=O)c1cnc(C)cc1Cl
InChIInChI=1S/C14H22ClN3O/c1-5-18(8-6-7-17(3)4)14(19)12-10-16-11(2)9-13(12)15/h9-10H,5-8H2,1-4H3
InChIKeyCHQIMNDJMDUYES-UHFFFAOYSA-N
XLogP2.46
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.80
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-dibutyl-4-chloro-6-methylpyridine-3-carboxamide
CID 81224997
4-chloro-N-ethyl-N,6-dimethylpyridine-3-carboxamide
CID 81225000
4-chloro-N-ethyl-6-methyl-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide
CID 81227477
4-amino-2-chloro-N-[3-(dimethylamino)propyl]-N-ethylbenzamide
CID 102990858
4-chloro-6-methyl-N-propyl-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide
CID 81226727
4-chloro-N-ethyl-6-methyl-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide
CID 81226969
4-chloro-6-methyl-N-propan-2-yl-N-propylpyridine-3-carboxamide
CID 81225563
4-chloro-N-(cyanomethyl)-N,6-dimethylpyridine-3-carboxamide
CID 103817245
4-chloro-N,6-dimethyl-N-[3-(methylamino)-3-oxopropyl]pyridine-3-carboxamide
CID 113268050
2-chloro-N-[3-(dimethylamino)propyl]-N-ethyl-3-nitropyridine-4-carboxamide
CID 102978941
ethyl 2-[(4-chloro-6-methylpyridine-3-carbonyl)-(2-methoxyethyl)amino]acetate
CID 81228292
4-chloro-N,6-dimethyl-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide
CID 81226216

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[3-(dimethylamino)propyl]-N-ethyl-6-methylpyridine-3-carboxamide?
The IUPAC name of 4-chloro-N-[3-(dimethylamino)propyl]-N-ethyl-6-methylpyridine-3-carboxamide (CID 102978950) is 4-chloro-N-[3-(dimethylamino)propyl]-N-ethyl-6-methylpyridine-3-carboxamide.
What is the SMILES notation for 4-chloro-N-[3-(dimethylamino)propyl]-N-ethyl-6-methylpyridine-3-carboxamide?
The canonical SMILES for 4-chloro-N-[3-(dimethylamino)propyl]-N-ethyl-6-methylpyridine-3-carboxamide is CCN(CCCN(C)C)C(=O)c1cnc(C)cc1Cl.
What is the InChIKey of 4-chloro-N-[3-(dimethylamino)propyl]-N-ethyl-6-methylpyridine-3-carboxamide?
The InChIKey is CHQIMNDJMDUYES-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClN3O/c1-5-18(8-6-7-17(3)4)14(19)12-10-16-11(2)9-13(12)15/h9-10H,5-8H2,1-4H3.
What are the key properties of 4-chloro-N-[3-(dimethylamino)propyl]-N-ethyl-6-methylpyridine-3-carboxamide?
4-chloro-N-[3-(dimethylamino)propyl]-N-ethyl-6-methylpyridine-3-carboxamide has a molecular weight of 283.80 g/mol, XLogP of 2.46, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[3-(dimethylamino)propyl]-N-ethyl-6-methylpyridine-3-carboxamide is sourced from PubChem (CID 102978950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).