3-chloro-N-(2-ethoxy-2-methylpropyl)pyridine-4-carboxamide

C12H17ClN2O2 — CID 114942605

IUPAC3-chloro-N-(2-ethoxy-2-methylpropyl)pyridine-4-carboxamide
SMILESCCOC(C)(C)CNC(=O)c1ccncc1Cl
InChIInChI=1S/C12H17ClN2O2/c1-4-17-12(2,3)8-15-11(16)9-5-6-14-7-10(9)13/h5-7H,4,8H2,1-3H3,(H,15,16)
InChIKeyZJVQWUNIZBBZHI-UHFFFAOYSA-N
MW256.73 g/mol
LogP2.28
Rot. Bonds5

About 3-chloro-N-(2-ethoxy-2-methylpropyl)pyridine-4-carboxamide

3-chloro-N-(2-ethoxy-2-methylpropyl)pyridine-4-carboxamide (PubChem CID 114942605) has the molecular formula C12H17ClN2O2 and a molecular weight of 256.73 g/mol. Its IUPAC name is 3-chloro-N-(2-ethoxy-2-methylpropyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name3-chloro-N-(2-ethoxy-2-methylpropyl)pyridine-4-carboxamide
PubChem CID114942605
Molecular FormulaC12H17ClN2O2
Molecular Weight256.73 g/mol
Exact Mass256.10
IUPAC Name3-chloro-N-(2-ethoxy-2-methylpropyl)pyridine-4-carboxamide
SMILESCCOC(C)(C)CNC(=O)c1ccncc1Cl
InChIInChI=1S/C12H17ClN2O2/c1-4-17-12(2,3)8-15-11(16)9-5-6-14-7-10(9)13/h5-7H,4,8H2,1-3H3,(H,15,16)
InChIKeyZJVQWUNIZBBZHI-UHFFFAOYSA-N
XLogP2.28
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.73
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-N-(2-methyl-2-methylsulfanylpropyl)pyridine-4-carboxamide
CID 115667227
3-chloro-N-[(3S)-1-hydroxy-3-methylpentan-3-yl]pyridine-4-carboxamide
CID 97340426
N-[2-(tert-butylamino)-2-oxoethyl]-3-chloropyridine-4-carboxamide
CID 79079783
3-chloro-N-[2-(dimethylamino)-2-oxoethyl]pyridine-4-carboxamide
CID 66464016
2-bromo-N-(2-ethoxy-2-methylpropyl)pyridine-3-carboxamide
CID 105343028
N-(1-bromo-2-methylbutan-2-yl)-3-chloropyridine-4-carboxamide
CID 114314442
3-chloro-N-[2-[ethyl(methyl)amino]-2-oxoethyl]pyridine-4-carboxamide
CID 104920297
3-chloro-N-[2-(furan-2-yl)-2-hydroxypropyl]pyridine-4-carboxamide
CID 111519619
3-chloro-N-(2,2-dimethoxyethyl)pyridine-4-carboxamide
CID 66464589
3-chloro-N-(2-hydroxy-4,4-dimethylpentyl)pyridine-4-carboxamide
CID 103714844
2-chloro-N-(2-ethoxy-2-methylpropyl)-5-sulfamoylbenzamide
CID 114944541
3-chloro-N-[(2S)-2-hydroxypropyl]pyridine-4-carboxamide
CID 83030867

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(2-ethoxy-2-methylpropyl)pyridine-4-carboxamide?
The IUPAC name of 3-chloro-N-(2-ethoxy-2-methylpropyl)pyridine-4-carboxamide (CID 114942605) is 3-chloro-N-(2-ethoxy-2-methylpropyl)pyridine-4-carboxamide.
What is the SMILES notation for 3-chloro-N-(2-ethoxy-2-methylpropyl)pyridine-4-carboxamide?
The canonical SMILES for 3-chloro-N-(2-ethoxy-2-methylpropyl)pyridine-4-carboxamide is CCOC(C)(C)CNC(=O)c1ccncc1Cl.
What is the InChIKey of 3-chloro-N-(2-ethoxy-2-methylpropyl)pyridine-4-carboxamide?
The InChIKey is ZJVQWUNIZBBZHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O2/c1-4-17-12(2,3)8-15-11(16)9-5-6-14-7-10(9)13/h5-7H,4,8H2,1-3H3,(H,15,16).
What are the key properties of 3-chloro-N-(2-ethoxy-2-methylpropyl)pyridine-4-carboxamide?
3-chloro-N-(2-ethoxy-2-methylpropyl)pyridine-4-carboxamide has a molecular weight of 256.73 g/mol, XLogP of 2.28, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(2-ethoxy-2-methylpropyl)pyridine-4-carboxamide is sourced from PubChem (CID 114942605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).