6-aminopyridine-3-carboxylic acid;tert-butyl 5-(6-aminopyridine-3-carbonyl)-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate;tert-butyl 2,5-diazabicyclo[2.2.1]heptane-2-carboxylate

C32H46N8O7 — CID 158544502

IUPAC6-aminopyridine-3-carboxylic acid;tert-butyl 5-(6-aminopyridine-3-carbonyl)-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate;tert-butyl 2,5-diazabicyclo[2.2.1]heptane-2-carboxylate
SMILESCC(C)(C)OC(=O)N1CC2CC1CN2.CC(C)(C)OC(=O)N1CC2CC1CN2C(=O)c1ccc(N)nc1.Nc1ccc(C(=O)O)cn1
InChIInChI=1S/C16H22N4O3.C10H18N2O2.C6H6N2O2/c1-16(2,3)23-15(22)20-9-11-6-12(20)8-19(11)14(21)10-4-5-13(17)18-7-10;1-10(2,3)14-9(13)12-6-7-4-8(12)5-11-7;7-5-2-1-4(3-8-5)6(9)10/h4-5,7,11-12H,6,8-9H2,1-3H3,(H2,17,18);7-8,11H,4-6H2,1-3H3;1-3H,(H2,7,8)(H,9,10)
InChIKeyHOYCDCMMADEYQG-UHFFFAOYSA-N
MW654.77 g/mol
LogP2.83
Rot. Bonds2

About 6-aminopyridine-3-carboxylic acid;tert-butyl 5-(6-aminopyridine-3-carbonyl)-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate;tert-butyl 2,5-diazabicyclo[2.2.1]heptane-2-carboxylate

6-aminopyridine-3-carboxylic acid;tert-butyl 5-(6-aminopyridine-3-carbonyl)-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate;tert-butyl 2,5-diazabicyclo[2.2.1]heptane-2-carboxylate (PubChem CID 158544502) has the molecular formula C32H46N8O7 and a molecular weight of 654.77 g/mol. Its IUPAC name is 6-aminopyridine-3-carboxylic acid;tert-butyl 5-(6-aminopyridine-3-carbonyl)-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate;tert-butyl 2,5-diazabicyclo[2.2.1]heptane-2-carboxylate.

Molecular Properties

Compound Name6-aminopyridine-3-carboxylic acid;tert-butyl 5-(6-aminopyridine-3-carbonyl)-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate;tert-butyl 2,5-diazabicyclo[2.2.1]heptane-2-carboxylate
PubChem CID158544502
Molecular FormulaC32H46N8O7
Molecular Weight654.77 g/mol
Exact Mass654.35
IUPAC Name6-aminopyridine-3-carboxylic acid;tert-butyl 5-(6-aminopyridine-3-carbonyl)-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate;tert-butyl 2,5-diazabicyclo[2.2.1]heptane-2-carboxylate
SMILESCC(C)(C)OC(=O)N1CC2CC1CN2.CC(C)(C)OC(=O)N1CC2CC1CN2C(=O)c1ccc(N)nc1.Nc1ccc(C(=O)O)cn1
InChIInChI=1S/C16H22N4O3.C10H18N2O2.C6H6N2O2/c1-16(2,3)23-15(22)20-9-11-6-12(20)8-19(11)14(21)10-4-5-13(17)18-7-10;1-10(2,3)14-9(13)12-6-7-4-8(12)5-11-7;7-5-2-1-4(3-8-5)6(9)10/h4-5,7,11-12H,6,8-9H2,1-3H3,(H2,17,18);7-8,11H,4-6H2,1-3H3;1-3H,(H2,7,8)(H,9,10)
InChIKeyHOYCDCMMADEYQG-UHFFFAOYSA-N
XLogP2.83
TPSA206.54 Ų
H-Bond Donors4
H-Bond Acceptors11
Rotatable Bonds2
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500654.77
LogP ≤ 52.83
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1011

Analyze 6-aminopyridine-3-carboxylic acid;tert-butyl 5-(6-aminopyridine-3-carbonyl)-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate;tert-butyl 2,5-diazabicyclo[2.2.1]heptane-2-carboxylate 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

2-[4-[(3S,5S)-5-[(3S)-3-fluoropyrrolidine-1-carbonyl]pyrrolidin-3-yl]piperazin-1-yl]pyridine-3-carboxylic acid
CID 141127947
6-[4-[[(3R)-1-methylpyrrolidin-3-yl]carbamoylamino]piperidin-1-yl]pyridine-3-carboxylic acid
CID 59785816
6-(1-Tert-butoxycarbonyl-piperidin-4-ylamino)-nicotinic acid
CID 67399271
6-[4-[1-[(2-Methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]piperazin-1-yl]pyridine-3-carboxylic acid
CID 67560935
2-[(3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidin-1-yl]pyridine-3-carboxylic acid
CID 97619268
2-[(3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidin-1-yl]pyridine-3-carboxylic acid
CID 97619269
N-[(3S)-1-(2,2-dimethyl-1,3-dihydropyrrolo[2,3-b]pyridine-5-carbonyl)pyrrolidin-3-yl]-N-methylacetamide;2,2-dimethyl-1,3-dihydropyrrolo[2,3-b]pyridine-5-carboxylic acid;N-methyl-N-[(3S)-pyrrolidin-3-yl]acetamide;dihydrochloride
CID 157911070
(3-aminopyrrolidin-1-yl)-pyridin-3-ylmethanone;tert-butyl N-cyclopentylcarbamate;tert-butyl N-[1-(pyridine-3-carbonyl)pyrrolidin-3-yl]carbamate;pyridine-3-carboxylic acid
CID 158008964
Tert-butyl piperazine-1-carboxylate;6-chloropyridine-3-carboxylic acid;6-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]pyridine-3-carboxylic acid
CID 158013802
1-[6-(Tert-butylamino)pyridine-3-carbonyl]-3-methylpyrrolidine-3-carbonitrile;6-(tert-butylamino)pyridine-3-carboxylic acid;3-methylpyrrolidine-3-carbonitrile;hydrochloride
CID 158233729
N-[2-[2-aminoethyl(methyl)amino]ethyl]pyridine-3-carboxamide;N'-(2-aminoethyl)-N'-methylethane-1,2-diamine;tert-butyl N-[2-[2-aminoethyl(methyl)amino]ethyl]carbamate;N-[2-[2-[[(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoyl]amino]ethyl-methylamino]ethyl]pyridine-3-carboxamide;pyridine-3-carboxylic acid
CID 158241674
6-Aminopyridine-3-carboxylic acid;tert-butyl 3-(6-aminopyridine-3-carbonyl)-3,9-diazabicyclo[3.3.1]nonane-9-carboxylate;tert-butyl 3,9-diazabicyclo[3.3.1]nonane-9-carboxylate
CID 158278343

Frequently Asked Questions

What is the IUPAC name of 6-aminopyridine-3-carboxylic acid;tert-butyl 5-(6-aminopyridine-3-carbonyl)-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate;tert-butyl 2,5-diazabicyclo[2.2.1]heptane-2-carboxylate?
The IUPAC name of 6-aminopyridine-3-carboxylic acid;tert-butyl 5-(6-aminopyridine-3-carbonyl)-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate;tert-butyl 2,5-diazabicyclo[2.2.1]heptane-2-carboxylate (CID 158544502) is 6-aminopyridine-3-carboxylic acid;tert-butyl 5-(6-aminopyridine-3-carbonyl)-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate;tert-butyl 2,5-diazabicyclo[2.2.1]heptane-2-carboxylate.
What is the SMILES notation for 6-aminopyridine-3-carboxylic acid;tert-butyl 5-(6-aminopyridine-3-carbonyl)-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate;tert-butyl 2,5-diazabicyclo[2.2.1]heptane-2-carboxylate?
The canonical SMILES for 6-aminopyridine-3-carboxylic acid;tert-butyl 5-(6-aminopyridine-3-carbonyl)-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate;tert-butyl 2,5-diazabicyclo[2.2.1]heptane-2-carboxylate is CC(C)(C)OC(=O)N1CC2CC1CN2.CC(C)(C)OC(=O)N1CC2CC1CN2C(=O)c1ccc(N)nc1.Nc1ccc(C(=O)O)cn1.
What is the InChIKey of 6-aminopyridine-3-carboxylic acid;tert-butyl 5-(6-aminopyridine-3-carbonyl)-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate;tert-butyl 2,5-diazabicyclo[2.2.1]heptane-2-carboxylate?
The InChIKey is HOYCDCMMADEYQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O3.C10H18N2O2.C6H6N2O2/c1-16(2,3)23-15(22)20-9-11-6-12(20)8-19(11)14(21)10-4-5-13(17)18-7-10;1-10(2,3)14-9(13)12-6-7-4-8(12)5-11-7;7-5-2-1-4(3-8-5)6(9)10/h4-5,7,11-12H,6,8-9H2,1-3H3,(H2,17,18);7-8,11H,4-6H2,1-3H3;1-3H,(H2,7,8)(H,9,10).
What are the key properties of 6-aminopyridine-3-carboxylic acid;tert-butyl 5-(6-aminopyridine-3-carbonyl)-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate;tert-butyl 2,5-diazabicyclo[2.2.1]heptane-2-carboxylate?
6-aminopyridine-3-carboxylic acid;tert-butyl 5-(6-aminopyridine-3-carbonyl)-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate;tert-butyl 2,5-diazabicyclo[2.2.1]heptane-2-carboxylate has a molecular weight of 654.77 g/mol, XLogP of 2.83, 2 rotatable bonds, 4 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 6-aminopyridine-3-carboxylic acid;tert-butyl 5-(6-aminopyridine-3-carbonyl)-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate;tert-butyl 2,5-diazabicyclo[2.2.1]heptane-2-carboxylate is sourced from PubChem (CID 158544502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).