6-morpholin-4-ylpyridin-1-ium-3-carboxamide

C10H14N3O2+ — CID 6992898

IUPAC6-morpholin-4-ylpyridin-1-ium-3-carboxamide
SMILESNC(=O)c1ccc(N2CCOCC2)[nH+]c1
InChIInChI=1S/C10H13N3O2/c11-10(14)8-1-2-9(12-7-8)13-3-5-15-6-4-13/h1-2,7H,3-6H2,(H2,11,14)/p+1
InChIKeyWGUWZMKBMLBNEE-UHFFFAOYSA-O
MW208.24 g/mol
LogP-0.56
Rot. Bonds2

About 6-morpholin-4-ylpyridin-1-ium-3-carboxamide

6-morpholin-4-ylpyridin-1-ium-3-carboxamide (PubChem CID 6992898) has the molecular formula C10H14N3O2+ and a molecular weight of 208.24 g/mol. Its IUPAC name is 6-morpholin-4-ylpyridin-1-ium-3-carboxamide.

Molecular Properties

Compound Name6-morpholin-4-ylpyridin-1-ium-3-carboxamide
PubChem CID6992898
Molecular FormulaC10H14N3O2+
Molecular Weight208.24 g/mol
Exact Mass208.11
IUPAC Name6-morpholin-4-ylpyridin-1-ium-3-carboxamide
SMILESNC(=O)c1ccc(N2CCOCC2)[nH+]c1
InChIInChI=1S/C10H13N3O2/c11-10(14)8-1-2-9(12-7-8)13-3-5-15-6-4-13/h1-2,7H,3-6H2,(H2,11,14)/p+1
InChIKeyWGUWZMKBMLBNEE-UHFFFAOYSA-O
XLogP-0.56
TPSA69.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.24
LogP ≤ 5-0.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-benzothiophen-2-ylmethyl)-6-morpholin-4-ylpyridin-1-ium-3-carboxamide
CID 6976162
3-fluoro-4-(morpholine-4-carbonyl)benzamide
CID 68509173
4-morpholin-4-ylbenzenecarbothioamide
CID 2795360
4-morpholin-4-ylbenzenecarbothioic S-acid
CID 20689810
4-N-(3-morpholin-4-ylphenyl)benzene-1,4-dicarboxamide
CID 86821841
4-(6-piperidin-1-ylpyridin-1-ium-3-yl)sulfonylmorpholine
CID 9196183
4-[(morpholin-4-ylamino)methyl]benzamide
CID 83012003
1-[4-[4-(4-morpholin-4-ylphenyl)piperazin-1-yl]phenyl]ethanone
CID 20729332
4-[2-(morpholine-4-carbonyl)phenyl]benzamide
CID 70218339
3-amino-5-methoxy-4-morpholin-4-ylbenzamide
CID 166624983
N-(4-carbamoylphenyl)-6-morpholin-4-ylpyridazine-3-carboxamide
CID 121028121
N-cyclohexyl-6-morpholin-4-ylpyridin-1-ium-3-sulfonamide
CID 6927976

Frequently Asked Questions

What is the IUPAC name of 6-morpholin-4-ylpyridin-1-ium-3-carboxamide?
The IUPAC name of 6-morpholin-4-ylpyridin-1-ium-3-carboxamide (CID 6992898) is 6-morpholin-4-ylpyridin-1-ium-3-carboxamide.
What is the SMILES notation for 6-morpholin-4-ylpyridin-1-ium-3-carboxamide?
The canonical SMILES for 6-morpholin-4-ylpyridin-1-ium-3-carboxamide is NC(=O)c1ccc(N2CCOCC2)[nH+]c1.
What is the InChIKey of 6-morpholin-4-ylpyridin-1-ium-3-carboxamide?
The InChIKey is WGUWZMKBMLBNEE-UHFFFAOYSA-O. The full InChI is InChI=1S/C10H13N3O2/c11-10(14)8-1-2-9(12-7-8)13-3-5-15-6-4-13/h1-2,7H,3-6H2,(H2,11,14)/p+1.
What are the key properties of 6-morpholin-4-ylpyridin-1-ium-3-carboxamide?
6-morpholin-4-ylpyridin-1-ium-3-carboxamide has a molecular weight of 208.24 g/mol, XLogP of -0.56, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-morpholin-4-ylpyridin-1-ium-3-carboxamide is sourced from PubChem (CID 6992898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).