4-chloro-N-(2-morpholin-4-ylethyl)pyridine-3-carboxamide

C12H16ClN3O2 — CID 46233361

IUPAC4-chloro-N-(2-morpholin-4-ylethyl)pyridine-3-carboxamide
SMILESO=C(NCCN1CCOCC1)c1cnccc1Cl
InChIInChI=1S/C12H16ClN3O2/c13-11-1-2-14-9-10(11)12(17)15-3-4-16-5-7-18-8-6-16/h1-2,9H,3-8H2,(H,15,17)
InChIKeyFJZDMBYDDXBLAU-UHFFFAOYSA-N
MW269.73 g/mol
LogP0.80
Rot. Bonds4

About 4-chloro-N-(2-morpholin-4-ylethyl)pyridine-3-carboxamide

4-chloro-N-(2-morpholin-4-ylethyl)pyridine-3-carboxamide (PubChem CID 46233361) has the molecular formula C12H16ClN3O2 and a molecular weight of 269.73 g/mol. Its IUPAC name is 4-chloro-N-(2-morpholin-4-ylethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name4-chloro-N-(2-morpholin-4-ylethyl)pyridine-3-carboxamide
PubChem CID46233361
Molecular FormulaC12H16ClN3O2
Molecular Weight269.73 g/mol
Exact Mass269.09
IUPAC Name4-chloro-N-(2-morpholin-4-ylethyl)pyridine-3-carboxamide
SMILESO=C(NCCN1CCOCC1)c1cnccc1Cl
InChIInChI=1S/C12H16ClN3O2/c13-11-1-2-14-9-10(11)12(17)15-3-4-16-5-7-18-8-6-16/h1-2,9H,3-8H2,(H,15,17)
InChIKeyFJZDMBYDDXBLAU-UHFFFAOYSA-N
XLogP0.80
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.73
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Nicopholine
CID 68116
6-Chloro-N-(2-morpholinoethyl)nicotinamide
CID 1228702
(2-Chloropyridin-3-yl)(morpholin-4-yl)methanone
CID 2063428
N-(2-hydroxyethyl)nicotinamide
CID 72663
6-chloro-N-(cyclohexylmethyl)pyridine-3-carboxamide
CID 2566057
2-chloro-N-(pyridin-3-yl)pyridine-3-carboxamide
CID 1223451
6-Chloro-N-(3-morpholinopropyl)nicotinamide
CID 17144214
5,6-Dichloro-N-(2-morpholinoethyl)nicotinamide
CID 29786172
5,6-Dichloro-N-(3-morpholinopropyl)nicotinamide
CID 43236315
2-Bromo-N-(2-morpholinoethyl)nicotinamide
CID 46233338
2-Chloro-N-(2-morpholinoethyl)nicotinamide
CID 3466480
4-Chloro-N-(3-morpholinopropyl)nicotinamide
CID 46233458

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(2-morpholin-4-ylethyl)pyridine-3-carboxamide?
The IUPAC name of 4-chloro-N-(2-morpholin-4-ylethyl)pyridine-3-carboxamide (CID 46233361) is 4-chloro-N-(2-morpholin-4-ylethyl)pyridine-3-carboxamide.
What is the SMILES notation for 4-chloro-N-(2-morpholin-4-ylethyl)pyridine-3-carboxamide?
The canonical SMILES for 4-chloro-N-(2-morpholin-4-ylethyl)pyridine-3-carboxamide is O=C(NCCN1CCOCC1)c1cnccc1Cl.
What is the InChIKey of 4-chloro-N-(2-morpholin-4-ylethyl)pyridine-3-carboxamide?
The InChIKey is FJZDMBYDDXBLAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN3O2/c13-11-1-2-14-9-10(11)12(17)15-3-4-16-5-7-18-8-6-16/h1-2,9H,3-8H2,(H,15,17).
What are the key properties of 4-chloro-N-(2-morpholin-4-ylethyl)pyridine-3-carboxamide?
4-chloro-N-(2-morpholin-4-ylethyl)pyridine-3-carboxamide has a molecular weight of 269.73 g/mol, XLogP of 0.80, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(2-morpholin-4-ylethyl)pyridine-3-carboxamide is sourced from PubChem (CID 46233361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).