4-chloro-N-[3-(diethylamino)propyl]-N-ethylpyridine-3-carboxamide

C15H24ClN3O — CID 102992707

IUPAC4-chloro-N-[3-(diethylamino)propyl]-N-ethylpyridine-3-carboxamide
SMILESCCN(CC)CCCN(CC)C(=O)c1cnccc1Cl
InChIInChI=1S/C15H24ClN3O/c1-4-18(5-2)10-7-11-19(6-3)15(20)13-12-17-9-8-14(13)16/h8-9,12H,4-7,10-11H2,1-3H3
InChIKeyYOSSKJSSFPOLFO-UHFFFAOYSA-N
MW297.83 g/mol
LogP2.93
Rot. Bonds8

About 4-chloro-N-[3-(diethylamino)propyl]-N-ethylpyridine-3-carboxamide

4-chloro-N-[3-(diethylamino)propyl]-N-ethylpyridine-3-carboxamide (PubChem CID 102992707) has the molecular formula C15H24ClN3O and a molecular weight of 297.83 g/mol. Its IUPAC name is 4-chloro-N-[3-(diethylamino)propyl]-N-ethylpyridine-3-carboxamide.

Molecular Properties

Compound Name4-chloro-N-[3-(diethylamino)propyl]-N-ethylpyridine-3-carboxamide
PubChem CID102992707
Molecular FormulaC15H24ClN3O
Molecular Weight297.83 g/mol
Exact Mass297.16
IUPAC Name4-chloro-N-[3-(diethylamino)propyl]-N-ethylpyridine-3-carboxamide
SMILESCCN(CC)CCCN(CC)C(=O)c1cnccc1Cl
InChIInChI=1S/C15H24ClN3O/c1-4-18(5-2)10-7-11-19(6-3)15(20)13-12-17-9-8-14(13)16/h8-9,12H,4-7,10-11H2,1-3H3
InChIKeyYOSSKJSSFPOLFO-UHFFFAOYSA-N
XLogP2.93
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.83
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(diethylamino)propyl]-N-ethyl-3-fluoropyridine-4-carboxamide
CID 102992706
3-chloro-N-ethyl-N-propylpyridine-4-carboxamide
CID 66463826
4-chloro-N,N-bis(2-hydroxyethyl)pyridine-3-carboxamide
CID 81227403
2-amino-3-chloro-N-[3-(diethylamino)propyl]-N-ethylbenzamide
CID 102990923
ethyl 2-[(4-chloropyridine-3-carbonyl)-ethylamino]acetate
CID 81227208
5-chloro-N-[3-(diethylamino)propyl]-N-ethyl-2-hydroxybenzamide
CID 102993943
N-[3-(diethylamino)propyl]-N-ethyl-5-hydroxypyridine-3-carboxamide
CID 102993953
3-amino-N-butyl-N-ethylpyridine-4-carboxamide
CID 105068020
N-[3-(diethylamino)propyl]-N-ethyl-2,3-dihydroxybenzamide
CID 102993947
N-(3-amino-3-sulfanylidenepropyl)-3-chloro-N-ethylpyridine-4-carboxamide
CID 66464783
3-chloro-N,N-dipropylpyridine-4-carboxamide
CID 66463803
4-chloro-N-propan-2-yl-N-propylpyridine-3-carboxamide
CID 81225564

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[3-(diethylamino)propyl]-N-ethylpyridine-3-carboxamide?
The IUPAC name of 4-chloro-N-[3-(diethylamino)propyl]-N-ethylpyridine-3-carboxamide (CID 102992707) is 4-chloro-N-[3-(diethylamino)propyl]-N-ethylpyridine-3-carboxamide.
What is the SMILES notation for 4-chloro-N-[3-(diethylamino)propyl]-N-ethylpyridine-3-carboxamide?
The canonical SMILES for 4-chloro-N-[3-(diethylamino)propyl]-N-ethylpyridine-3-carboxamide is CCN(CC)CCCN(CC)C(=O)c1cnccc1Cl.
What is the InChIKey of 4-chloro-N-[3-(diethylamino)propyl]-N-ethylpyridine-3-carboxamide?
The InChIKey is YOSSKJSSFPOLFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClN3O/c1-4-18(5-2)10-7-11-19(6-3)15(20)13-12-17-9-8-14(13)16/h8-9,12H,4-7,10-11H2,1-3H3.
What are the key properties of 4-chloro-N-[3-(diethylamino)propyl]-N-ethylpyridine-3-carboxamide?
4-chloro-N-[3-(diethylamino)propyl]-N-ethylpyridine-3-carboxamide has a molecular weight of 297.83 g/mol, XLogP of 2.93, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[3-(diethylamino)propyl]-N-ethylpyridine-3-carboxamide is sourced from PubChem (CID 102992707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).