N-methyl-4-[5-(methylamino)-3-pyridinyl]morpholine-3-carboxamide

C12H18N4O2 — CID 104535677

IUPACN-methyl-4-[5-(methylamino)-3-pyridinyl]morpholine-3-carboxamide
SMILESCNC(=O)C1COCCN1c1cncc(NC)c1
InChIInChI=1S/C12H18N4O2/c1-13-9-5-10(7-15-6-9)16-3-4-18-8-11(16)12(17)14-2/h5-7,11,13H,3-4,8H2,1-2H3,(H,14,17)
InChIKeySSWDUKVQZBYVOH-UHFFFAOYSA-N
MW250.30 g/mol
LogP0.07
Rot. Bonds3

About N-methyl-4-[5-(methylamino)-3-pyridinyl]morpholine-3-carboxamide

N-methyl-4-[5-(methylamino)-3-pyridinyl]morpholine-3-carboxamide (PubChem CID 104535677) has the molecular formula C12H18N4O2 and a molecular weight of 250.30 g/mol. Its IUPAC name is N-methyl-4-[5-(methylamino)-3-pyridinyl]morpholine-3-carboxamide.

Molecular Properties

Compound NameN-methyl-4-[5-(methylamino)-3-pyridinyl]morpholine-3-carboxamide
PubChem CID104535677
Molecular FormulaC12H18N4O2
Molecular Weight250.30 g/mol
Exact Mass250.14
IUPAC NameN-methyl-4-[5-(methylamino)-3-pyridinyl]morpholine-3-carboxamide
SMILESCNC(=O)C1COCCN1c1cncc(NC)c1
InChIInChI=1S/C12H18N4O2/c1-13-9-5-10(7-15-6-9)16-3-4-18-8-11(16)12(17)14-2/h5-7,11,13H,3-4,8H2,1-2H3,(H,14,17)
InChIKeySSWDUKVQZBYVOH-UHFFFAOYSA-N
XLogP0.07
TPSA66.49 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 ≤ 50.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-4-[5-(methylamino)-3-pyridinyl]morpholine-3-carboxamide
CID 104535674
4-[5-(methylamino)-3-pyridinyl]morpholine-3-carboxamide
CID 104535670
N-methyl-4-[5-(propylamino)-3-pyridinyl]morpholine-3-carboxamide
CID 104535676
4-(6-amino-3-pyridinyl)-N-methylmorpholine-3-carboxamide
CID 83106485
4-(5-amino-3-pyridinyl)-N-propylmorpholine-3-carboxamide
CID 104535679
4-(3-hydrazinyl-5-nitrophenyl)-N-methylmorpholine-3-carboxamide
CID 83104244
4-[3-(methylcarbamoyl)morpholin-4-yl]pyrimidine-5-carboxylic acid
CID 114214594
4-(4,6-dichloro-1,3,5-triazin-2-yl)-N-methylmorpholine-3-carboxamide
CID 83103129
N-methyl-4-[5-methyl-6-(methylamino)pyrimidin-4-yl]morpholine-3-carboxamide
CID 83103916
1-(5-amino-3-pyridinyl)-N-methylpyrrolidine-2-carboxamide
CID 104533673
4-(6-chloro-2-propan-2-ylpyrimidin-4-yl)-N-methylmorpholine-3-carboxamide
CID 83103056
4-(4-cyano-6-methylpyrimidin-2-yl)-N-methylmorpholine-3-carboxamide
CID 107545051

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[5-(methylamino)-3-pyridinyl]morpholine-3-carboxamide?
The IUPAC name of N-methyl-4-[5-(methylamino)-3-pyridinyl]morpholine-3-carboxamide (CID 104535677) is N-methyl-4-[5-(methylamino)-3-pyridinyl]morpholine-3-carboxamide.
What is the SMILES notation for N-methyl-4-[5-(methylamino)-3-pyridinyl]morpholine-3-carboxamide?
The canonical SMILES for N-methyl-4-[5-(methylamino)-3-pyridinyl]morpholine-3-carboxamide is CNC(=O)C1COCCN1c1cncc(NC)c1.
What is the InChIKey of N-methyl-4-[5-(methylamino)-3-pyridinyl]morpholine-3-carboxamide?
The InChIKey is SSWDUKVQZBYVOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2/c1-13-9-5-10(7-15-6-9)16-3-4-18-8-11(16)12(17)14-2/h5-7,11,13H,3-4,8H2,1-2H3,(H,14,17).
What are the key properties of N-methyl-4-[5-(methylamino)-3-pyridinyl]morpholine-3-carboxamide?
N-methyl-4-[5-(methylamino)-3-pyridinyl]morpholine-3-carboxamide has a molecular weight of 250.30 g/mol, XLogP of 0.07, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[5-(methylamino)-3-pyridinyl]morpholine-3-carboxamide is sourced from PubChem (CID 104535677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).