3-chloro-N-[(4-ethylmorpholin-2-yl)methyl]pyridine-4-carboxamide

C13H18ClN3O2 — CID 115667178

IUPAC3-chloro-N-[(4-ethylmorpholin-2-yl)methyl]pyridine-4-carboxamide
SMILESCCN1CCOC(CNC(=O)c2ccncc2Cl)C1
InChIInChI=1S/C13H18ClN3O2/c1-2-17-5-6-19-10(9-17)7-16-13(18)11-3-4-15-8-12(11)14/h3-4,8,10H,2,5-7,9H2,1H3,(H,16,18)
InChIKeyDZOMJUUGNVQMCD-UHFFFAOYSA-N
MW283.76 g/mol
LogP1.19
Rot. Bonds4

About 3-chloro-N-[(4-ethylmorpholin-2-yl)methyl]pyridine-4-carboxamide

3-chloro-N-[(4-ethylmorpholin-2-yl)methyl]pyridine-4-carboxamide (PubChem CID 115667178) has the molecular formula C13H18ClN3O2 and a molecular weight of 283.76 g/mol. Its IUPAC name is 3-chloro-N-[(4-ethylmorpholin-2-yl)methyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name3-chloro-N-[(4-ethylmorpholin-2-yl)methyl]pyridine-4-carboxamide
PubChem CID115667178
Molecular FormulaC13H18ClN3O2
Molecular Weight283.76 g/mol
Exact Mass283.11
IUPAC Name3-chloro-N-[(4-ethylmorpholin-2-yl)methyl]pyridine-4-carboxamide
SMILESCCN1CCOC(CNC(=O)c2ccncc2Cl)C1
InChIInChI=1S/C13H18ClN3O2/c1-2-17-5-6-19-10(9-17)7-16-13(18)11-3-4-15-8-12(11)14/h3-4,8,10H,2,5-7,9H2,1H3,(H,16,18)
InChIKeyDZOMJUUGNVQMCD-UHFFFAOYSA-N
XLogP1.19
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.76
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-N-[(4-ethylmorpholin-2-yl)methyl]-2-(methylamino)pyridine-4-carboxamide
CID 114924792
N-[(4-ethylmorpholin-2-yl)methyl]-3-hydroxy-2-methylbenzamide
CID 115869037
2-chloro-N-[(4-ethylmorpholin-2-yl)methyl]pyridine-4-carboxamide
CID 115629793
N-[(4-ethylmorpholin-2-yl)methyl]-5-(methylamino)pyridine-2-carboxamide
CID 114401189
5-bromo-N-[(4-ethylmorpholin-2-yl)methyl]-2-hydrazinylpyridine-3-carboxamide
CID 114401197
N-[(4-ethylmorpholin-2-yl)methyl]pyridin-4-amine
CID 114400660
3-(chloromethyl)-N-[(4-ethylmorpholin-2-yl)methyl]benzamide
CID 114399696
4-chloro-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide
CID 81225863
N-[[(2R)-4-benzyl-1,4-oxazepan-2-yl]methyl]-3-fluoropyridine-4-carboxamide
CID 124742373
3-chloro-N-[2-(oxolan-2-yl)ethyl]pyridine-4-carboxamide
CID 66482577
4-N-[(4-ethylmorpholin-2-yl)methyl]pyridine-3,4-diamine
CID 114399235
3-chloro-N-[(4-hydroxycyclohexyl)methyl]pyridine-4-carboxamide
CID 106123323

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(4-ethylmorpholin-2-yl)methyl]pyridine-4-carboxamide?
The IUPAC name of 3-chloro-N-[(4-ethylmorpholin-2-yl)methyl]pyridine-4-carboxamide (CID 115667178) is 3-chloro-N-[(4-ethylmorpholin-2-yl)methyl]pyridine-4-carboxamide.
What is the SMILES notation for 3-chloro-N-[(4-ethylmorpholin-2-yl)methyl]pyridine-4-carboxamide?
The canonical SMILES for 3-chloro-N-[(4-ethylmorpholin-2-yl)methyl]pyridine-4-carboxamide is CCN1CCOC(CNC(=O)c2ccncc2Cl)C1.
What is the InChIKey of 3-chloro-N-[(4-ethylmorpholin-2-yl)methyl]pyridine-4-carboxamide?
The InChIKey is DZOMJUUGNVQMCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN3O2/c1-2-17-5-6-19-10(9-17)7-16-13(18)11-3-4-15-8-12(11)14/h3-4,8,10H,2,5-7,9H2,1H3,(H,16,18).
What are the key properties of 3-chloro-N-[(4-ethylmorpholin-2-yl)methyl]pyridine-4-carboxamide?
3-chloro-N-[(4-ethylmorpholin-2-yl)methyl]pyridine-4-carboxamide has a molecular weight of 283.76 g/mol, XLogP of 1.19, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[(4-ethylmorpholin-2-yl)methyl]pyridine-4-carboxamide is sourced from PubChem (CID 115667178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).