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

C13H18ClN3O2 — CID 115629793

IUPAC2-chloro-N-[(4-ethylmorpholin-2-yl)methyl]pyridine-4-carboxamide
SMILESCCN1CCOC(CNC(=O)c2ccnc(Cl)c2)C1
InChIInChI=1S/C13H18ClN3O2/c1-2-17-5-6-19-11(9-17)8-16-13(18)10-3-4-15-12(14)7-10/h3-4,7,11H,2,5-6,8-9H2,1H3,(H,16,18)
InChIKeyGBOAUUCTQSFMQV-UHFFFAOYSA-N
MW283.76 g/mol
LogP1.19
Rot. Bonds4

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

2-chloro-N-[(4-ethylmorpholin-2-yl)methyl]pyridine-4-carboxamide (PubChem CID 115629793) has the molecular formula C13H18ClN3O2 and a molecular weight of 283.76 g/mol. Its IUPAC name is 2-chloro-N-[(4-ethylmorpholin-2-yl)methyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-chloro-N-[(4-ethylmorpholin-2-yl)methyl]pyridine-4-carboxamide
PubChem CID115629793
Molecular FormulaC13H18ClN3O2
Molecular Weight283.76 g/mol
Exact Mass283.11
IUPAC Name2-chloro-N-[(4-ethylmorpholin-2-yl)methyl]pyridine-4-carboxamide
SMILESCCN1CCOC(CNC(=O)c2ccnc(Cl)c2)C1
InChIInChI=1S/C13H18ClN3O2/c1-2-17-5-6-19-11(9-17)8-16-13(18)10-3-4-15-12(14)7-10/h3-4,7,11H,2,5-6,8-9H2,1H3,(H,16,18)
InChIKeyGBOAUUCTQSFMQV-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N-[[(2R)-4-(2-methylpropyl)morpholin-2-yl]methyl]pyridine-4-carboxamide
CID 35365780
3-(chloromethyl)-N-[(4-ethylmorpholin-2-yl)methyl]benzamide
CID 114399696
3-amino-4-bromo-N-[(4-ethylmorpholin-2-yl)methyl]benzamide
CID 114398949
3-chloro-N-[(4-ethylmorpholin-2-yl)methyl]pyridine-4-carboxamide
CID 115667178
N-[(4-ethylmorpholin-2-yl)methyl]-3-hydroxy-2-methylbenzamide
CID 115869037
N-[(4-ethylmorpholin-2-yl)methyl]-5-(methylamino)pyridine-2-carboxamide
CID 114401189
5-chloro-N-[(4-ethylmorpholin-2-yl)methyl]-2-(methylamino)pyridine-4-carboxamide
CID 114924792
4-[(4-ethylmorpholin-2-yl)methylamino]-N-methylpyridine-2-carboxamide
CID 114400602
3-amino-N-[(4-ethylmorpholin-2-yl)methyl]-1H-pyrazole-5-carboxamide
CID 114399014
N-[(4-benzylmorpholin-2-yl)methyl]pyridine-4-carboxamide
CID 43019906
N-[(4-benzylmorpholin-2-yl)methyl]-2-chloroquinoline-6-carboxamide
CID 55731163
4,5-dibromo-N-[(4-ethylmorpholin-2-yl)methyl]thiophene-2-carboxamide
CID 115629840

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(4-ethylmorpholin-2-yl)methyl]pyridine-4-carboxamide?
The IUPAC name of 2-chloro-N-[(4-ethylmorpholin-2-yl)methyl]pyridine-4-carboxamide (CID 115629793) is 2-chloro-N-[(4-ethylmorpholin-2-yl)methyl]pyridine-4-carboxamide.
What is the SMILES notation for 2-chloro-N-[(4-ethylmorpholin-2-yl)methyl]pyridine-4-carboxamide?
The canonical SMILES for 2-chloro-N-[(4-ethylmorpholin-2-yl)methyl]pyridine-4-carboxamide is CCN1CCOC(CNC(=O)c2ccnc(Cl)c2)C1.
What is the InChIKey of 2-chloro-N-[(4-ethylmorpholin-2-yl)methyl]pyridine-4-carboxamide?
The InChIKey is GBOAUUCTQSFMQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN3O2/c1-2-17-5-6-19-11(9-17)8-16-13(18)10-3-4-15-12(14)7-10/h3-4,7,11H,2,5-6,8-9H2,1H3,(H,16,18).
What are the key properties of 2-chloro-N-[(4-ethylmorpholin-2-yl)methyl]pyridine-4-carboxamide?
2-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 2-chloro-N-[(4-ethylmorpholin-2-yl)methyl]pyridine-4-carboxamide is sourced from PubChem (CID 115629793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).