3-chloro-N-[2-(dimethylamino)-2-oxoethyl]pyridine-4-carboxamide

C10H12ClN3O2 — CID 66464016

IUPAC3-chloro-N-[2-(dimethylamino)-2-oxoethyl]pyridine-4-carboxamide
SMILESCN(C)C(=O)CNC(=O)c1ccncc1Cl
InChIInChI=1S/C10H12ClN3O2/c1-14(2)9(15)6-13-10(16)7-3-4-12-5-8(7)11/h3-5H,6H2,1-2H3,(H,13,16)
InChIKeyHIWCHHJCLUCCIL-UHFFFAOYSA-N
MW241.68 g/mol
LogP0.55
Rot. Bonds3

About 3-chloro-N-[2-(dimethylamino)-2-oxoethyl]pyridine-4-carboxamide

3-chloro-N-[2-(dimethylamino)-2-oxoethyl]pyridine-4-carboxamide (PubChem CID 66464016) has the molecular formula C10H12ClN3O2 and a molecular weight of 241.68 g/mol. Its IUPAC name is 3-chloro-N-[2-(dimethylamino)-2-oxoethyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name3-chloro-N-[2-(dimethylamino)-2-oxoethyl]pyridine-4-carboxamide
PubChem CID66464016
Molecular FormulaC10H12ClN3O2
Molecular Weight241.68 g/mol
Exact Mass241.06
IUPAC Name3-chloro-N-[2-(dimethylamino)-2-oxoethyl]pyridine-4-carboxamide
SMILESCN(C)C(=O)CNC(=O)c1ccncc1Cl
InChIInChI=1S/C10H12ClN3O2/c1-14(2)9(15)6-13-10(16)7-3-4-12-5-8(7)11/h3-5H,6H2,1-2H3,(H,13,16)
InChIKeyHIWCHHJCLUCCIL-UHFFFAOYSA-N
XLogP0.55
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.68
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-N-[2-[ethyl(methyl)amino]-2-oxoethyl]pyridine-4-carboxamide
CID 104920297
N-[2-(tert-butylamino)-2-oxoethyl]-3-chloropyridine-4-carboxamide
CID 79079783
3-chloro-N-[(2S)-2-hydroxypropyl]pyridine-4-carboxamide
CID 83030867
N-but-2-ynyl-3-chloropyridine-4-carboxamide
CID 115866885
3-chloro-N-(2-methyl-2-methylsulfanylpropyl)pyridine-4-carboxamide
CID 115667227
N-(2-bromoethyl)-3-chloropyridine-4-carboxamide
CID 66482611
2-chloro-N-[2-(dimethylamino)-2-oxoethyl]pyridine-3-carboxamide
CID 31785131
3-chloro-N-(3-chloropropyl)pyridine-4-carboxamide
CID 66482803
3-chloro-N-[3-(methylamino)-3-oxopropyl]pyridine-4-carboxamide
CID 66482781
3-chloro-N-(2,2-dimethoxyethyl)pyridine-4-carboxamide
CID 66464589
3-chloro-N-[(4-methylphenyl)methyl]pyridine-4-carboxamide
CID 66462440
3-chloro-N-(2-oxo-2-piperidin-1-ylethyl)pyridine-4-carboxamide
CID 112695851

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[2-(dimethylamino)-2-oxoethyl]pyridine-4-carboxamide?
The IUPAC name of 3-chloro-N-[2-(dimethylamino)-2-oxoethyl]pyridine-4-carboxamide (CID 66464016) is 3-chloro-N-[2-(dimethylamino)-2-oxoethyl]pyridine-4-carboxamide.
What is the SMILES notation for 3-chloro-N-[2-(dimethylamino)-2-oxoethyl]pyridine-4-carboxamide?
The canonical SMILES for 3-chloro-N-[2-(dimethylamino)-2-oxoethyl]pyridine-4-carboxamide is CN(C)C(=O)CNC(=O)c1ccncc1Cl.
What is the InChIKey of 3-chloro-N-[2-(dimethylamino)-2-oxoethyl]pyridine-4-carboxamide?
The InChIKey is HIWCHHJCLUCCIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClN3O2/c1-14(2)9(15)6-13-10(16)7-3-4-12-5-8(7)11/h3-5H,6H2,1-2H3,(H,13,16).
What are the key properties of 3-chloro-N-[2-(dimethylamino)-2-oxoethyl]pyridine-4-carboxamide?
3-chloro-N-[2-(dimethylamino)-2-oxoethyl]pyridine-4-carboxamide has a molecular weight of 241.68 g/mol, XLogP of 0.55, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[2-(dimethylamino)-2-oxoethyl]pyridine-4-carboxamide is sourced from PubChem (CID 66464016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).