4-[2-(aminomethyl)pyridine-4-carbonyl]-N-ethylmorpholine-3-carboxamide

C14H20N4O3 — CID 83098199

IUPAC4-[2-(aminomethyl)pyridine-4-carbonyl]-N-ethylmorpholine-3-carboxamide
SMILESCCNC(=O)C1COCCN1C(=O)c1ccnc(CN)c1
InChIInChI=1S/C14H20N4O3/c1-2-16-13(19)12-9-21-6-5-18(12)14(20)10-3-4-17-11(7-10)8-15/h3-4,7,12H,2,5-6,8-9,15H2,1H3,(H,16,19)
InChIKeyNYSYQKDXAWMVIN-UHFFFAOYSA-N
MW292.34 g/mol
LogP-0.48
Rot. Bonds4

About 4-[2-(aminomethyl)pyridine-4-carbonyl]-N-ethylmorpholine-3-carboxamide

4-[2-(aminomethyl)pyridine-4-carbonyl]-N-ethylmorpholine-3-carboxamide (PubChem CID 83098199) has the molecular formula C14H20N4O3 and a molecular weight of 292.34 g/mol. Its IUPAC name is 4-[2-(aminomethyl)pyridine-4-carbonyl]-N-ethylmorpholine-3-carboxamide.

Molecular Properties

Compound Name4-[2-(aminomethyl)pyridine-4-carbonyl]-N-ethylmorpholine-3-carboxamide
PubChem CID83098199
Molecular FormulaC14H20N4O3
Molecular Weight292.34 g/mol
Exact Mass292.15
IUPAC Name4-[2-(aminomethyl)pyridine-4-carbonyl]-N-ethylmorpholine-3-carboxamide
SMILESCCNC(=O)C1COCCN1C(=O)c1ccnc(CN)c1
InChIInChI=1S/C14H20N4O3/c1-2-16-13(19)12-9-21-6-5-18(12)14(20)10-3-4-17-11(7-10)8-15/h3-4,7,12H,2,5-6,8-9,15H2,1H3,(H,16,19)
InChIKeyNYSYQKDXAWMVIN-UHFFFAOYSA-N
XLogP-0.48
TPSA97.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 5-0.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(3-amino-4-fluorobenzoyl)-N-ethylmorpholine-3-carboxamide
CID 83099381
N-ethyl-4-(3-iodobenzoyl)morpholine-3-carboxamide
CID 83100853
4-[5-(aminomethyl)pyridine-2-carbonyl]-N-ethylmorpholine-3-carboxamide
CID 83096787
4-(3-bromo-4-fluorobenzoyl)-N-ethylmorpholine-3-carboxamide
CID 107953173
4-[3-(chloromethyl)benzoyl]-N-ethylmorpholine-3-carboxamide
CID 83098794
4-(3-bromo-5-methylbenzoyl)-N-ethylmorpholine-3-carboxamide
CID 104852955
1-[2-(aminomethyl)pyridine-4-carbonyl]pyrrolidine-2-carboxamide
CID 113277721
4-(2,5-dichloropyridine-4-carbonyl)-N-ethylmorpholine-3-carboxamide
CID 114918798
4-(4-amino-1-ethylpyrazole-5-carbonyl)-N-ethylmorpholine-3-carboxamide
CID 83099384
3-N-ethylmorpholine-3,4-dicarboxamide
CID 83106248
4-(2-chloro-5-sulfanylbenzoyl)-N-ethylmorpholine-3-carboxamide
CID 107034008
3-[[4-[3-(hydroxymethyl)morpholine-4-carbonyl]-2-pyridinyl]methyl]-1,1-dimethylurea
CID 112532014

Frequently Asked Questions

What is the IUPAC name of 4-[2-(aminomethyl)pyridine-4-carbonyl]-N-ethylmorpholine-3-carboxamide?
The IUPAC name of 4-[2-(aminomethyl)pyridine-4-carbonyl]-N-ethylmorpholine-3-carboxamide (CID 83098199) is 4-[2-(aminomethyl)pyridine-4-carbonyl]-N-ethylmorpholine-3-carboxamide.
What is the SMILES notation for 4-[2-(aminomethyl)pyridine-4-carbonyl]-N-ethylmorpholine-3-carboxamide?
The canonical SMILES for 4-[2-(aminomethyl)pyridine-4-carbonyl]-N-ethylmorpholine-3-carboxamide is CCNC(=O)C1COCCN1C(=O)c1ccnc(CN)c1.
What is the InChIKey of 4-[2-(aminomethyl)pyridine-4-carbonyl]-N-ethylmorpholine-3-carboxamide?
The InChIKey is NYSYQKDXAWMVIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O3/c1-2-16-13(19)12-9-21-6-5-18(12)14(20)10-3-4-17-11(7-10)8-15/h3-4,7,12H,2,5-6,8-9,15H2,1H3,(H,16,19).
What are the key properties of 4-[2-(aminomethyl)pyridine-4-carbonyl]-N-ethylmorpholine-3-carboxamide?
4-[2-(aminomethyl)pyridine-4-carbonyl]-N-ethylmorpholine-3-carboxamide has a molecular weight of 292.34 g/mol, XLogP of -0.48, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(aminomethyl)pyridine-4-carbonyl]-N-ethylmorpholine-3-carboxamide is sourced from PubChem (CID 83098199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).