5-chloro-N-[2-(dimethylamino)ethyl]-N-methylpyridine-3-carboxamide

C11H16ClN3O — CID 175903314

IUPAC5-chloro-N-[2-(dimethylamino)ethyl]-N-methylpyridine-3-carboxamide
SMILESCN(C)CCN(C)C(=O)c1cncc(Cl)c1
InChIInChI=1S/C11H16ClN3O/c1-14(2)4-5-15(3)11(16)9-6-10(12)8-13-7-9/h6-8H,4-5H2,1-3H3
InChIKeyMEXHFKXEPSHELE-UHFFFAOYSA-N
MW241.72 g/mol
LogP1.37
Rot. Bonds4

About 5-chloro-N-[2-(dimethylamino)ethyl]-N-methylpyridine-3-carboxamide

5-chloro-N-[2-(dimethylamino)ethyl]-N-methylpyridine-3-carboxamide (PubChem CID 175903314) has the molecular formula C11H16ClN3O and a molecular weight of 241.72 g/mol. Its IUPAC name is 5-chloro-N-[2-(dimethylamino)ethyl]-N-methylpyridine-3-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[2-(dimethylamino)ethyl]-N-methylpyridine-3-carboxamide
PubChem CID175903314
Molecular FormulaC11H16ClN3O
Molecular Weight241.72 g/mol
Exact Mass241.10
IUPAC Name5-chloro-N-[2-(dimethylamino)ethyl]-N-methylpyridine-3-carboxamide
SMILESCN(C)CCN(C)C(=O)c1cncc(Cl)c1
InChIInChI=1S/C11H16ClN3O/c1-14(2)4-5-15(3)11(16)9-6-10(12)8-13-7-9/h6-8H,4-5H2,1-3H3
InChIKeyMEXHFKXEPSHELE-UHFFFAOYSA-N
XLogP1.37
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.72
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[5-[2-(dimethylamino)ethyl-methylcarbamoyl]-3-pyridinyl]prop-2-enoic acid
CID 77004571
2,6-dichloro-N-[2-(dimethylamino)ethyl]-N-methylpyridine-4-carboxamide
CID 55226373
3-N,5-N-bis(2-hydroxyethyl)-3-N,5-N-dimethylpyridine-3,5-dicarboxamide
CID 22458041
N-[3-(dimethylamino)propyl]-5-hydroxy-N-methylpyridine-3-carboxamide
CID 63860357
N-[2-(dimethylamino)ethyl]-5-(4-hydroxybut-1-ynyl)-N-methylpyridine-3-carboxamide
CID 63698983
5-chloro-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridine-3-carboxamide
CID 90648411
5-chloro-N-(2-hydroxyethyl)-N-propylpyridine-3-carboxamide
CID 70463058
N-[2-(dimethylamino)ethyl]-3,5-dihydroxy-N-methylbenzamide
CID 104939111
5,6-dichloro-N-[3-(dimethylamino)propyl]-N-methylpyridine-3-carboxamide
CID 63695366
3,5-diamino-N-[2-(dimethylamino)ethyl]-N-methylbenzamide
CID 63694073
2,5-dichloro-N-[2-(dimethylamino)ethyl]-N-methylbenzamide
CID 110484021
N-[2-(dimethylamino)ethyl]-3,4,5-trifluoro-N-methylbenzamide
CID 63693984

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[2-(dimethylamino)ethyl]-N-methylpyridine-3-carboxamide?
The IUPAC name of 5-chloro-N-[2-(dimethylamino)ethyl]-N-methylpyridine-3-carboxamide (CID 175903314) is 5-chloro-N-[2-(dimethylamino)ethyl]-N-methylpyridine-3-carboxamide.
What is the SMILES notation for 5-chloro-N-[2-(dimethylamino)ethyl]-N-methylpyridine-3-carboxamide?
The canonical SMILES for 5-chloro-N-[2-(dimethylamino)ethyl]-N-methylpyridine-3-carboxamide is CN(C)CCN(C)C(=O)c1cncc(Cl)c1.
What is the InChIKey of 5-chloro-N-[2-(dimethylamino)ethyl]-N-methylpyridine-3-carboxamide?
The InChIKey is MEXHFKXEPSHELE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3O/c1-14(2)4-5-15(3)11(16)9-6-10(12)8-13-7-9/h6-8H,4-5H2,1-3H3.
What are the key properties of 5-chloro-N-[2-(dimethylamino)ethyl]-N-methylpyridine-3-carboxamide?
5-chloro-N-[2-(dimethylamino)ethyl]-N-methylpyridine-3-carboxamide has a molecular weight of 241.72 g/mol, XLogP of 1.37, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[2-(dimethylamino)ethyl]-N-methylpyridine-3-carboxamide is sourced from PubChem (CID 175903314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).