sodium;6-aminopyridine-3-carboxylic acid;(6-amino-3-pyridinyl)-morpholin-4-ylmethanone;ethyl 6-aminopyridine-3-carboxylate;hydroxide

C24H30N7NaO7 — CID 157311485

IUPACsodium;6-aminopyridine-3-carboxylic acid;(6-amino-3-pyridinyl)-morpholin-4-ylmethanone;ethyl 6-aminopyridine-3-carboxylate;hydroxide
SMILESCCOC(=O)c1ccc(N)nc1.Nc1ccc(C(=O)N2CCOCC2)cn1.Nc1ccc(C(=O)O)cn1.[Na+].[OH-]
InChIInChI=1S/C10H13N3O2.C8H10N2O2.C6H6N2O2.Na.H2O/c11-9-2-1-8(7-12-9)10(14)13-3-5-15-6-4-13;1-2-12-8(11)6-3-4-7(9)10-5-6;7-5-2-1-4(3-8-5)6(9)10;;/h1-2,7H,3-6H2,(H2,11,12);3-5H,2H2,1H3,(H2,9,10);1-3H,(H2,7,8)(H,9,10);;1H2/q;;;+1;/p-1
InChIKeyBDCAJYALTIPDLX-UHFFFAOYSA-M
MW551.54 g/mol
LogP-1.83
Rot. Bonds4

About sodium;6-aminopyridine-3-carboxylic acid;(6-amino-3-pyridinyl)-morpholin-4-ylmethanone;ethyl 6-aminopyridine-3-carboxylate;hydroxide

sodium;6-aminopyridine-3-carboxylic acid;(6-amino-3-pyridinyl)-morpholin-4-ylmethanone;ethyl 6-aminopyridine-3-carboxylate;hydroxide (PubChem CID 157311485) has the molecular formula C24H30N7NaO7 and a molecular weight of 551.54 g/mol. Its IUPAC name is sodium;6-aminopyridine-3-carboxylic acid;(6-amino-3-pyridinyl)-morpholin-4-ylmethanone;ethyl 6-aminopyridine-3-carboxylate;hydroxide.

Molecular Properties

Compound Namesodium;6-aminopyridine-3-carboxylic acid;(6-amino-3-pyridinyl)-morpholin-4-ylmethanone;ethyl 6-aminopyridine-3-carboxylate;hydroxide
PubChem CID157311485
Molecular FormulaC24H30N7NaO7
Molecular Weight551.54 g/mol
Exact Mass551.21
IUPAC Namesodium;6-aminopyridine-3-carboxylic acid;(6-amino-3-pyridinyl)-morpholin-4-ylmethanone;ethyl 6-aminopyridine-3-carboxylate;hydroxide
SMILESCCOC(=O)c1ccc(N)nc1.Nc1ccc(C(=O)N2CCOCC2)cn1.Nc1ccc(C(=O)O)cn1.[Na+].[OH-]
InChIInChI=1S/C10H13N3O2.C8H10N2O2.C6H6N2O2.Na.H2O/c11-9-2-1-8(7-12-9)10(14)13-3-5-15-6-4-13;1-2-12-8(11)6-3-4-7(9)10-5-6;7-5-2-1-4(3-8-5)6(9)10;;/h1-2,7H,3-6H2,(H2,11,12);3-5H,2H2,1H3,(H2,9,10);1-3H,(H2,7,8)(H,9,10);;1H2/q;;;+1;/p-1
InChIKeyBDCAJYALTIPDLX-UHFFFAOYSA-M
XLogP-1.83
TPSA239.87 Ų
H-Bond Donors4
H-Bond Acceptors12
Rotatable Bonds4
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500551.54
LogP ≤ 5-1.83
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1012

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Launch Full Analysis

Related Compounds

ethyl 5-[(E)-2-(2-amino-5-methyl-3-pyridinyl)ethenyl]pyridine-3-carboxylate
CID 44527067
3-Pyridinecarboxylic acid, 2-(ethyl(3-pyridinylcarbonyl)amino)ethyl ester
CID 3052984
3-Pyridinecarboxylic acid, 1-((1,3,3a,4,7,7a-hexahydro-1,3-dioxo-2H-isoindol-2-yl)methyl)-2-(4-(2-pyridinyl)-1-piperazinyl)ethyl ester, (Z)-2-butenedioate (1:1)
CID 6448273
3-Pyridinecarboxylic acid, 2-(butyl(3-pyridinylcarbonyl)amino)ethyl ester, hemihydrate
CID 16721171
Nicotinyl 6-aminonicotinate
CID 155342
Methyl 2-[3-hydroxy-4-(oxan-4-ylamino)piperidin-1-yl]pyridine-3-carboxylate
CID 118263632
Ethyl 6-[2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]morpholin-4-yl]pyridine-3-carboxylate;2,2,2-trifluoroacetic acid
CID 91504982
Ethyl 6-[2-(aminomethyl)morpholin-4-yl]pyridine-3-carboxylate;ethyl 6-[2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]morpholin-4-yl]pyridine-3-carboxylate;2,2,2-trifluoroacetic acid
CID 158865232
Diiodomethane;ethyl 6-[2-(aminomethyl)morpholin-4-yl]pyridine-3-carboxylate;ethyl 6-[2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]morpholin-4-yl]pyridine-3-carboxylate;methane;2,2,2-trifluoroacetic acid
CID 162167951
Ethyl 6-[(2-morpholin-4-yl-4-pyridinyl)methylamino]pyridine-3-carboxylate
CID 34000915
methyl 2-(2,4-dioxo-1H-pyrido[2,3-d]pyrimidin-3-yl)pyridine-3-carboxylate
CID 6619173
Methyl 2-[1-(cyanomethyl)-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl]pyridine-3-carboxylate
CID 51108597

Frequently Asked Questions

What is the IUPAC name of sodium;6-aminopyridine-3-carboxylic acid;(6-amino-3-pyridinyl)-morpholin-4-ylmethanone;ethyl 6-aminopyridine-3-carboxylate;hydroxide?
The IUPAC name of sodium;6-aminopyridine-3-carboxylic acid;(6-amino-3-pyridinyl)-morpholin-4-ylmethanone;ethyl 6-aminopyridine-3-carboxylate;hydroxide (CID 157311485) is sodium;6-aminopyridine-3-carboxylic acid;(6-amino-3-pyridinyl)-morpholin-4-ylmethanone;ethyl 6-aminopyridine-3-carboxylate;hydroxide.
What is the SMILES notation for sodium;6-aminopyridine-3-carboxylic acid;(6-amino-3-pyridinyl)-morpholin-4-ylmethanone;ethyl 6-aminopyridine-3-carboxylate;hydroxide?
The canonical SMILES for sodium;6-aminopyridine-3-carboxylic acid;(6-amino-3-pyridinyl)-morpholin-4-ylmethanone;ethyl 6-aminopyridine-3-carboxylate;hydroxide is CCOC(=O)c1ccc(N)nc1.Nc1ccc(C(=O)N2CCOCC2)cn1.Nc1ccc(C(=O)O)cn1.[Na+].[OH-].
What is the InChIKey of sodium;6-aminopyridine-3-carboxylic acid;(6-amino-3-pyridinyl)-morpholin-4-ylmethanone;ethyl 6-aminopyridine-3-carboxylate;hydroxide?
The InChIKey is BDCAJYALTIPDLX-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H13N3O2.C8H10N2O2.C6H6N2O2.Na.H2O/c11-9-2-1-8(7-12-9)10(14)13-3-5-15-6-4-13;1-2-12-8(11)6-3-4-7(9)10-5-6;7-5-2-1-4(3-8-5)6(9)10;;/h1-2,7H,3-6H2,(H2,11,12);3-5H,2H2,1H3,(H2,9,10);1-3H,(H2,7,8)(H,9,10);;1H2/q;;;+1;/p-1.
What are the key properties of sodium;6-aminopyridine-3-carboxylic acid;(6-amino-3-pyridinyl)-morpholin-4-ylmethanone;ethyl 6-aminopyridine-3-carboxylate;hydroxide?
sodium;6-aminopyridine-3-carboxylic acid;(6-amino-3-pyridinyl)-morpholin-4-ylmethanone;ethyl 6-aminopyridine-3-carboxylate;hydroxide has a molecular weight of 551.54 g/mol, XLogP of -1.83, 4 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;6-aminopyridine-3-carboxylic acid;(6-amino-3-pyridinyl)-morpholin-4-ylmethanone;ethyl 6-aminopyridine-3-carboxylate;hydroxide is sourced from PubChem (CID 157311485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).