3-chloro-N-ethyl-N-propylpyridine-4-carboxamide

C11H15ClN2O — CID 66463826

IUPAC3-chloro-N-ethyl-N-propylpyridine-4-carboxamide
SMILESCCCN(CC)C(=O)c1ccncc1Cl
InChIInChI=1S/C11H15ClN2O/c1-3-7-14(4-2)11(15)9-5-6-13-8-10(9)12/h5-6,8H,3-4,7H2,1-2H3
InChIKeyOZNFBZBMOWLUEZ-UHFFFAOYSA-N
MW226.71 g/mol
LogP2.61
Rot. Bonds4

About 3-chloro-N-ethyl-N-propylpyridine-4-carboxamide

3-chloro-N-ethyl-N-propylpyridine-4-carboxamide (PubChem CID 66463826) has the molecular formula C11H15ClN2O and a molecular weight of 226.71 g/mol. Its IUPAC name is 3-chloro-N-ethyl-N-propylpyridine-4-carboxamide.

Molecular Properties

Compound Name3-chloro-N-ethyl-N-propylpyridine-4-carboxamide
PubChem CID66463826
Molecular FormulaC11H15ClN2O
Molecular Weight226.71 g/mol
Exact Mass226.09
IUPAC Name3-chloro-N-ethyl-N-propylpyridine-4-carboxamide
SMILESCCCN(CC)C(=O)c1ccncc1Cl
InChIInChI=1S/C11H15ClN2O/c1-3-7-14(4-2)11(15)9-5-6-13-8-10(9)12/h5-6,8H,3-4,7H2,1-2H3
InChIKeyOZNFBZBMOWLUEZ-UHFFFAOYSA-N
XLogP2.61
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.71
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-chloro-N,N-dipropylpyridine-4-carboxamide
CID 66463803
3-chloro-N-[2-(dimethylamino)ethyl]-N-propylpyridine-4-carboxamide
CID 66483955
3-chloro-N-(cyclopropylmethyl)-N-propylpyridine-4-carboxamide
CID 66482927
N-(3-amino-3-sulfanylidenepropyl)-3-chloro-N-ethylpyridine-4-carboxamide
CID 66464783
N-ethyl-3-hydrazinyl-N-propylpyridine-4-carboxamide
CID 105072006
3-chloro-N-[2-(diethylamino)-2-oxoethyl]-N-methylpyridine-4-carboxamide
CID 66484898
3-chloro-N-(2-cyanopropyl)-N-ethylpyridine-4-carboxamide
CID 66463593
2-[carboxymethyl-(3-chloropyridine-4-carbonyl)amino]acetic acid
CID 66464574
4-chloro-N-[3-(diethylamino)propyl]-N-ethylpyridine-3-carboxamide
CID 102992707
3-chloro-N-[(3,4-difluorophenyl)methyl]-N-ethylpyridine-4-carboxamide
CID 66483932
3-chloro-N-ethyl-N-[(2R)-2-hydroxy-2-(4-methylphenyl)ethyl]pyridine-4-carboxamide
CID 97099338
3-amino-N-butyl-N-ethylpyridine-4-carboxamide
CID 105068020

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-ethyl-N-propylpyridine-4-carboxamide?
The IUPAC name of 3-chloro-N-ethyl-N-propylpyridine-4-carboxamide (CID 66463826) is 3-chloro-N-ethyl-N-propylpyridine-4-carboxamide.
What is the SMILES notation for 3-chloro-N-ethyl-N-propylpyridine-4-carboxamide?
The canonical SMILES for 3-chloro-N-ethyl-N-propylpyridine-4-carboxamide is CCCN(CC)C(=O)c1ccncc1Cl.
What is the InChIKey of 3-chloro-N-ethyl-N-propylpyridine-4-carboxamide?
The InChIKey is OZNFBZBMOWLUEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O/c1-3-7-14(4-2)11(15)9-5-6-13-8-10(9)12/h5-6,8H,3-4,7H2,1-2H3.
What are the key properties of 3-chloro-N-ethyl-N-propylpyridine-4-carboxamide?
3-chloro-N-ethyl-N-propylpyridine-4-carboxamide has a molecular weight of 226.71 g/mol, XLogP of 2.61, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-ethyl-N-propylpyridine-4-carboxamide is sourced from PubChem (CID 66463826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).