4-[(2-amino-4-pyridinyl)methyl]-N-methylmorpholine-3-carboxamide

C12H18N4O2 — CID 83103647

IUPAC4-[(2-amino-4-pyridinyl)methyl]-N-methylmorpholine-3-carboxamide
SMILESCNC(=O)C1COCCN1Cc1ccnc(N)c1
InChIInChI=1S/C12H18N4O2/c1-14-12(17)10-8-18-5-4-16(10)7-9-2-3-15-11(13)6-9/h2-3,6,10H,4-5,7-8H2,1H3,(H2,13,15)(H,14,17)
InChIKeyXLYMZPWASQGINW-UHFFFAOYSA-N
MW250.30 g/mol
LogP-0.39
Rot. Bonds3

About 4-[(2-amino-4-pyridinyl)methyl]-N-methylmorpholine-3-carboxamide

4-[(2-amino-4-pyridinyl)methyl]-N-methylmorpholine-3-carboxamide (PubChem CID 83103647) has the molecular formula C12H18N4O2 and a molecular weight of 250.30 g/mol. Its IUPAC name is 4-[(2-amino-4-pyridinyl)methyl]-N-methylmorpholine-3-carboxamide.

Molecular Properties

Compound Name4-[(2-amino-4-pyridinyl)methyl]-N-methylmorpholine-3-carboxamide
PubChem CID83103647
Molecular FormulaC12H18N4O2
Molecular Weight250.30 g/mol
Exact Mass250.14
IUPAC Name4-[(2-amino-4-pyridinyl)methyl]-N-methylmorpholine-3-carboxamide
SMILESCNC(=O)C1COCCN1Cc1ccnc(N)c1
InChIInChI=1S/C12H18N4O2/c1-14-12(17)10-8-18-5-4-16(10)7-9-2-3-15-11(13)6-9/h2-3,6,10H,4-5,7-8H2,1H3,(H2,13,15)(H,14,17)
InChIKeyXLYMZPWASQGINW-UHFFFAOYSA-N
XLogP-0.39
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 5-0.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-[(2-amino-4-pyridinyl)methyl]-N-methylmorpholine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[(2-amino-4-pyridinyl)methyl]morpholine-3-carboxamide
CID 83095376
4-[(2-aminopyrimidin-4-yl)methyl]-N-methylmorpholine-3-carboxamide
CID 112751291
4-[(4-amino-3-fluorophenyl)methyl]-N-methylmorpholine-3-carboxamide
CID 83106722
4-[(3-amino-5-bromophenyl)methyl]-N-methylmorpholine-3-carboxamide
CID 103350002
4-[(2-chloro-4-pyridinyl)methyl]morpholine-3-carboxamide
CID 83092821
4-[(3-carbamothioyl-5-fluorophenyl)methyl]-N-methylmorpholine-3-carboxamide
CID 83098928
4-[[2-(propylamino)-4-pyridinyl]methyl]morpholine-3-carboxamide
CID 83096353
4-[2-(4-aminophenyl)ethyl]-N-methylmorpholine-3-carboxamide
CID 83106155
methyl 1-[(2-amino-4-pyridinyl)methyl]pyrrolidine-2-carboxylate
CID 62471193
4-[(6-chloropyridazin-3-yl)methyl]-N-methylmorpholine-3-carboxamide
CID 104513820
4-[[2-(aminomethyl)-4-fluorophenyl]methyl]-N-methylmorpholine-3-carboxamide
CID 83106163
4-[(2-amino-6-fluorophenyl)methyl]-N-methylmorpholine-3-carboxamide
CID 83106086

Frequently Asked Questions

What is the IUPAC name of 4-[(2-amino-4-pyridinyl)methyl]-N-methylmorpholine-3-carboxamide?
The IUPAC name of 4-[(2-amino-4-pyridinyl)methyl]-N-methylmorpholine-3-carboxamide (CID 83103647) is 4-[(2-amino-4-pyridinyl)methyl]-N-methylmorpholine-3-carboxamide.
What is the SMILES notation for 4-[(2-amino-4-pyridinyl)methyl]-N-methylmorpholine-3-carboxamide?
The canonical SMILES for 4-[(2-amino-4-pyridinyl)methyl]-N-methylmorpholine-3-carboxamide is CNC(=O)C1COCCN1Cc1ccnc(N)c1.
What is the InChIKey of 4-[(2-amino-4-pyridinyl)methyl]-N-methylmorpholine-3-carboxamide?
The InChIKey is XLYMZPWASQGINW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2/c1-14-12(17)10-8-18-5-4-16(10)7-9-2-3-15-11(13)6-9/h2-3,6,10H,4-5,7-8H2,1H3,(H2,13,15)(H,14,17).
What are the key properties of 4-[(2-amino-4-pyridinyl)methyl]-N-methylmorpholine-3-carboxamide?
4-[(2-amino-4-pyridinyl)methyl]-N-methylmorpholine-3-carboxamide has a molecular weight of 250.30 g/mol, XLogP of -0.39, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-amino-4-pyridinyl)methyl]-N-methylmorpholine-3-carboxamide is sourced from PubChem (CID 83103647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).