3-chloro-N-[2-[ethyl(methyl)amino]-2-oxoethyl]pyridine-4-carboxamide

C11H14ClN3O2 — CID 104920297

IUPAC3-chloro-N-[2-[ethyl(methyl)amino]-2-oxoethyl]pyridine-4-carboxamide
SMILESCCN(C)C(=O)CNC(=O)c1ccncc1Cl
InChIInChI=1S/C11H14ClN3O2/c1-3-15(2)10(16)7-14-11(17)8-4-5-13-6-9(8)12/h4-6H,3,7H2,1-2H3,(H,14,17)
InChIKeyKLENGAWLRDTDHZ-UHFFFAOYSA-N
MW255.71 g/mol
LogP0.94
Rot. Bonds4

About 3-chloro-N-[2-[ethyl(methyl)amino]-2-oxoethyl]pyridine-4-carboxamide

3-chloro-N-[2-[ethyl(methyl)amino]-2-oxoethyl]pyridine-4-carboxamide (PubChem CID 104920297) has the molecular formula C11H14ClN3O2 and a molecular weight of 255.71 g/mol. Its IUPAC name is 3-chloro-N-[2-[ethyl(methyl)amino]-2-oxoethyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name3-chloro-N-[2-[ethyl(methyl)amino]-2-oxoethyl]pyridine-4-carboxamide
PubChem CID104920297
Molecular FormulaC11H14ClN3O2
Molecular Weight255.71 g/mol
Exact Mass255.08
IUPAC Name3-chloro-N-[2-[ethyl(methyl)amino]-2-oxoethyl]pyridine-4-carboxamide
SMILESCCN(C)C(=O)CNC(=O)c1ccncc1Cl
InChIInChI=1S/C11H14ClN3O2/c1-3-15(2)10(16)7-14-11(17)8-4-5-13-6-9(8)12/h4-6H,3,7H2,1-2H3,(H,14,17)
InChIKeyKLENGAWLRDTDHZ-UHFFFAOYSA-N
XLogP0.94
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.71
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-N-[2-(dimethylamino)-2-oxoethyl]pyridine-4-carboxamide
CID 66464016
2-chloro-N-[2-[ethyl(methyl)amino]-2-oxoethyl]benzamide
CID 134063159
2-chloro-N-[2-[ethyl(methyl)amino]-2-oxoethyl]-4-nitrobenzamide
CID 104928075
5-bromo-2-chloro-N-[2-[ethyl(methyl)amino]-2-oxoethyl]benzamide
CID 104920335
N-[2-(tert-butylamino)-2-oxoethyl]-3-chloropyridine-4-carboxamide
CID 79079783
3-chloro-N-[2-(diethylamino)-2-oxoethyl]-N-methylpyridine-4-carboxamide
CID 66484898
3-chloro-N-(2-ethoxy-2-methylpropyl)pyridine-4-carboxamide
CID 114942605
3-chloro-N-[(2S)-2-hydroxypropyl]pyridine-4-carboxamide
CID 83030867
N-but-2-ynyl-3-chloropyridine-4-carboxamide
CID 115866885
3-chloro-N-[3-[ethyl(methylsulfonyl)amino]propyl]pyridine-4-carboxamide
CID 66484906
N-(2-bromoethyl)-3-chloropyridine-4-carboxamide
CID 66482611
2-bromo-5-chloro-N-[2-[ethyl(methyl)amino]-2-oxoethyl]benzamide
CID 104928067

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[2-[ethyl(methyl)amino]-2-oxoethyl]pyridine-4-carboxamide?
The IUPAC name of 3-chloro-N-[2-[ethyl(methyl)amino]-2-oxoethyl]pyridine-4-carboxamide (CID 104920297) is 3-chloro-N-[2-[ethyl(methyl)amino]-2-oxoethyl]pyridine-4-carboxamide.
What is the SMILES notation for 3-chloro-N-[2-[ethyl(methyl)amino]-2-oxoethyl]pyridine-4-carboxamide?
The canonical SMILES for 3-chloro-N-[2-[ethyl(methyl)amino]-2-oxoethyl]pyridine-4-carboxamide is CCN(C)C(=O)CNC(=O)c1ccncc1Cl.
What is the InChIKey of 3-chloro-N-[2-[ethyl(methyl)amino]-2-oxoethyl]pyridine-4-carboxamide?
The InChIKey is KLENGAWLRDTDHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN3O2/c1-3-15(2)10(16)7-14-11(17)8-4-5-13-6-9(8)12/h4-6H,3,7H2,1-2H3,(H,14,17).
What are the key properties of 3-chloro-N-[2-[ethyl(methyl)amino]-2-oxoethyl]pyridine-4-carboxamide?
3-chloro-N-[2-[ethyl(methyl)amino]-2-oxoethyl]pyridine-4-carboxamide has a molecular weight of 255.71 g/mol, XLogP of 0.94, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[2-[ethyl(methyl)amino]-2-oxoethyl]pyridine-4-carboxamide is sourced from PubChem (CID 104920297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).