6-amino-7-(3-morpholin-4-ium-4-ylpropyl)-2-oxo-1,9-diaza-7-azoniatricyclo[8.4.0.03,8]tetradeca-3,5,7,9,11,13-hexaene-5-carboxamide

C19H24N6O3+2 — CID 6963767

IUPAC6-amino-7-(3-morpholin-4-ium-4-ylpropyl)-2-oxo-1,9-diaza-7-azoniatricyclo[8.4.0.03,8]tetradeca-3,5,7,9,11,13-hexaene-5-carboxamide
SMILESNC(=O)c1cc2c(=O)n3ccccc3nc2[n+](CCC[NH+]2CCOCC2)c1N
InChIInChI=1S/C19H22N6O3/c20-16-13(17(21)26)12-14-18(22-15-4-1-2-6-24(15)19(14)27)25(16)7-3-5-23-8-10-28-11-9-23/h1-2,4,6,12,20H,3,5,7-11H2,(H2,21,26)/p+2
InChIKeyCXDMERSBQJMJTI-UHFFFAOYSA-P
MW384.44 g/mol
LogP-1.88
Rot. Bonds5

About 6-amino-7-(3-morpholin-4-ium-4-ylpropyl)-2-oxo-1,9-diaza-7-azoniatricyclo[8.4.0.03,8]tetradeca-3,5,7,9,11,13-hexaene-5-carboxamide

6-amino-7-(3-morpholin-4-ium-4-ylpropyl)-2-oxo-1,9-diaza-7-azoniatricyclo[8.4.0.03,8]tetradeca-3,5,7,9,11,13-hexaene-5-carboxamide (PubChem CID 6963767) has the molecular formula C19H24N6O3+2 and a molecular weight of 384.44 g/mol. Its IUPAC name is 6-amino-7-(3-morpholin-4-ium-4-ylpropyl)-2-oxo-1,9-diaza-7-azoniatricyclo[8.4.0.03,8]tetradeca-3,5,7,9,11,13-hexaene-5-carboxamide.

Molecular Properties

Compound Name6-amino-7-(3-morpholin-4-ium-4-ylpropyl)-2-oxo-1,9-diaza-7-azoniatricyclo[8.4.0.03,8]tetradeca-3,5,7,9,11,13-hexaene-5-carboxamide
PubChem CID6963767
Molecular FormulaC19H24N6O3+2
Molecular Weight384.44 g/mol
Exact Mass384.19
IUPAC Name6-amino-7-(3-morpholin-4-ium-4-ylpropyl)-2-oxo-1,9-diaza-7-azoniatricyclo[8.4.0.03,8]tetradeca-3,5,7,9,11,13-hexaene-5-carboxamide
SMILESNC(=O)c1cc2c(=O)n3ccccc3nc2[n+](CCC[NH+]2CCOCC2)c1N
InChIInChI=1S/C19H22N6O3/c20-16-13(17(21)26)12-14-18(22-15-4-1-2-6-24(15)19(14)27)25(16)7-3-5-23-8-10-28-11-9-23/h1-2,4,6,12,20H,3,5,7-11H2,(H2,21,26)/p+2
InChIKeyCXDMERSBQJMJTI-UHFFFAOYSA-P
XLogP-1.88
TPSA121.03 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 5-1.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

3-Pyridinecarboxamide, 2-(4-morpholinyl)-N-phenyl-
CID 714698
6-(3-aminopropyl)-8-(4-morpholin-4-ylanilino)-2H-2,7-naphthyridin-1-one
CID 44180013
N-ethyl-2-(4-methylpiperazin-1-yl)pyridine-3-carboxamide
CID 3040782
6-Morpholinonicotinamide
CID 260349
N-cyclopentyl{8-methyl-5-oxo-2-[(oxolan-2-ylmethyl)amino](6-hydropyridino[1,2-a]pyridino[2,3-d]pyrimidin-3-yl)}carboxamide
CID 3162243
2-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]anilino]-6-[(3S)-3-(prop-2-enoylamino)pyrrolidin-1-yl]pyridine-3-carboxamide
CID 145981275
N-(4-morpholin-4-ylphenyl)-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide
CID 10000408
N-cyclohexyl-1-(2-morpholin-4-ylethyl)-2-oxo-1,8-naphthyridine-3-carboxamide
CID 44157583
6-((S)-3-Acryloylamino-pyrrolidin-1-yl)-2-(6-morpholin-4-yl-pyridin-3-ylamino)-nicotinamide
CID 118043312
6-(Acetamido)-N-[8-(morpholin-4-yl)-2,3-dihydroimidazo[1,2-c]quinazolin-5-yl]nicotinamide
CID 135429301
2-Imino-10-methyl-N-(2-(4-morpholinyl)ethyl)-5-oxo-1-(3-pyridinylmethyl)-1,5-dihydro-2H-dipyrido(1,2-A:2,3-D)pyrimidine-3-carboxamide
CID 1309471
3-Methyl-3,4,5,6-tetrahydro-2H-[1,2']bipyridinyl-5'-carboxylic acid (tetrahydro-furan-2-ylmethyl)-amide
CID 644480

Frequently Asked Questions

What is the IUPAC name of 6-amino-7-(3-morpholin-4-ium-4-ylpropyl)-2-oxo-1,9-diaza-7-azoniatricyclo[8.4.0.03,8]tetradeca-3,5,7,9,11,13-hexaene-5-carboxamide?
The IUPAC name of 6-amino-7-(3-morpholin-4-ium-4-ylpropyl)-2-oxo-1,9-diaza-7-azoniatricyclo[8.4.0.03,8]tetradeca-3,5,7,9,11,13-hexaene-5-carboxamide (CID 6963767) is 6-amino-7-(3-morpholin-4-ium-4-ylpropyl)-2-oxo-1,9-diaza-7-azoniatricyclo[8.4.0.03,8]tetradeca-3,5,7,9,11,13-hexaene-5-carboxamide.
What is the SMILES notation for 6-amino-7-(3-morpholin-4-ium-4-ylpropyl)-2-oxo-1,9-diaza-7-azoniatricyclo[8.4.0.03,8]tetradeca-3,5,7,9,11,13-hexaene-5-carboxamide?
The canonical SMILES for 6-amino-7-(3-morpholin-4-ium-4-ylpropyl)-2-oxo-1,9-diaza-7-azoniatricyclo[8.4.0.03,8]tetradeca-3,5,7,9,11,13-hexaene-5-carboxamide is NC(=O)c1cc2c(=O)n3ccccc3nc2[n+](CCC[NH+]2CCOCC2)c1N.
What is the InChIKey of 6-amino-7-(3-morpholin-4-ium-4-ylpropyl)-2-oxo-1,9-diaza-7-azoniatricyclo[8.4.0.03,8]tetradeca-3,5,7,9,11,13-hexaene-5-carboxamide?
The InChIKey is CXDMERSBQJMJTI-UHFFFAOYSA-P. The full InChI is InChI=1S/C19H22N6O3/c20-16-13(17(21)26)12-14-18(22-15-4-1-2-6-24(15)19(14)27)25(16)7-3-5-23-8-10-28-11-9-23/h1-2,4,6,12,20H,3,5,7-11H2,(H2,21,26)/p+2.
What are the key properties of 6-amino-7-(3-morpholin-4-ium-4-ylpropyl)-2-oxo-1,9-diaza-7-azoniatricyclo[8.4.0.03,8]tetradeca-3,5,7,9,11,13-hexaene-5-carboxamide?
6-amino-7-(3-morpholin-4-ium-4-ylpropyl)-2-oxo-1,9-diaza-7-azoniatricyclo[8.4.0.03,8]tetradeca-3,5,7,9,11,13-hexaene-5-carboxamide has a molecular weight of 384.44 g/mol, XLogP of -1.88, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-7-(3-morpholin-4-ium-4-ylpropyl)-2-oxo-1,9-diaza-7-azoniatricyclo[8.4.0.03,8]tetradeca-3,5,7,9,11,13-hexaene-5-carboxamide is sourced from PubChem (CID 6963767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).