3-aminopyridine-2-carboxylic acid;tert-butyl 2-(aminomethyl)piperidine-1-carboxylate;tert-butyl 2-[[(3-aminopyridine-2-carbonyl)amino]methyl]piperidine-1-carboxylate

C34H54N8O7 — CID 158073764

IUPAC3-aminopyridine-2-carboxylic acid;tert-butyl 2-(aminomethyl)piperidine-1-carboxylate;tert-butyl 2-[[(3-aminopyridine-2-carbonyl)amino]methyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCCC1CN.CC(C)(C)OC(=O)N1CCCCC1CNC(=O)c1ncccc1N.Nc1cccnc1C(=O)O
InChIInChI=1S/C17H26N4O3.C11H22N2O2.C6H6N2O2/c1-17(2,3)24-16(23)21-10-5-4-7-12(21)11-20-15(22)14-13(18)8-6-9-19-14;1-11(2,3)15-10(14)13-7-5-4-6-9(13)8-12;7-4-2-1-3-8-5(4)6(9)10/h6,8-9,12H,4-5,7,10-11,18H2,1-3H3,(H,20,22);9H,4-8,12H2,1-3H3;1-3H,7H2,(H,9,10)
InChIKeyFMCXHVMAYYQPQN-UHFFFAOYSA-N
MW686.86 g/mol
LogP4.28
Rot. Bonds5

About 3-aminopyridine-2-carboxylic acid;tert-butyl 2-(aminomethyl)piperidine-1-carboxylate;tert-butyl 2-[[(3-aminopyridine-2-carbonyl)amino]methyl]piperidine-1-carboxylate

3-aminopyridine-2-carboxylic acid;tert-butyl 2-(aminomethyl)piperidine-1-carboxylate;tert-butyl 2-[[(3-aminopyridine-2-carbonyl)amino]methyl]piperidine-1-carboxylate (PubChem CID 158073764) has the molecular formula C34H54N8O7 and a molecular weight of 686.86 g/mol. Its IUPAC name is 3-aminopyridine-2-carboxylic acid;tert-butyl 2-(aminomethyl)piperidine-1-carboxylate;tert-butyl 2-[[(3-aminopyridine-2-carbonyl)amino]methyl]piperidine-1-carboxylate.

Molecular Properties

Compound Name3-aminopyridine-2-carboxylic acid;tert-butyl 2-(aminomethyl)piperidine-1-carboxylate;tert-butyl 2-[[(3-aminopyridine-2-carbonyl)amino]methyl]piperidine-1-carboxylate
PubChem CID158073764
Molecular FormulaC34H54N8O7
Molecular Weight686.86 g/mol
Exact Mass686.41
IUPAC Name3-aminopyridine-2-carboxylic acid;tert-butyl 2-(aminomethyl)piperidine-1-carboxylate;tert-butyl 2-[[(3-aminopyridine-2-carbonyl)amino]methyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCCC1CN.CC(C)(C)OC(=O)N1CCCCC1CNC(=O)c1ncccc1N.Nc1cccnc1C(=O)O
InChIInChI=1S/C17H26N4O3.C11H22N2O2.C6H6N2O2/c1-17(2,3)24-16(23)21-10-5-4-7-12(21)11-20-15(22)14-13(18)8-6-9-19-14;1-11(2,3)15-10(14)13-7-5-4-6-9(13)8-12;7-4-2-1-3-8-5(4)6(9)10/h6,8-9,12H,4-5,7,10-11,18H2,1-3H3,(H,20,22);9H,4-8,12H2,1-3H3;1-3H,7H2,(H,9,10)
InChIKeyFMCXHVMAYYQPQN-UHFFFAOYSA-N
XLogP4.28
TPSA229.32 Ų
H-Bond Donors5
H-Bond Acceptors11
Rotatable Bonds5
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500686.86
LogP ≤ 54.28
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1011

Analyze 3-aminopyridine-2-carboxylic acid;tert-butyl 2-(aminomethyl)piperidine-1-carboxylate;tert-butyl 2-[[(3-aminopyridine-2-carbonyl)amino]methyl]piperidine-1-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

3-{[(Tert-butoxy)carbonyl]amino}pyridine-2-carboxylic acid
CID 1502052
Methyl 3-amino-6-[5-amino-6-[[4-(3-aminopiperidin-1-yl)-3-pyridinyl]carbamoyl]-2-pyridinyl]-5-fluoropyridine-2-carboxylate
CID 68162004
Methyl 3-amino-6-[5-amino-6-[[4-(3-aminopiperidin-1-yl)-3-pyridinyl]carbamoyl]-3-fluoro-2-pyridinyl]-5-fluoropyridine-2-carboxylate
CID 68162852
methyl 3-amino-6-[5-amino-6-[[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]carbamoyl]-3-fluoro-2-pyridinyl]-5-fluoropyridine-2-carboxylate
CID 68184749
methyl 3-amino-6-[5-amino-6-[[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]carbamoyl]-2-pyridinyl]-5-fluoropyridine-2-carboxylate
CID 68187386
3-Amino-6-[5-amino-6-[[4-(3-aminopiperidin-1-yl)-3-pyridinyl]carbamoyl]-3-fluoro-2-pyridinyl]-5-fluoropyridine-2-carboxylic acid
CID 140591031
3-Amino-6-[5-amino-6-[[4-(3-aminopiperidin-1-yl)-3-pyridinyl]carbamoyl]-2-pyridinyl]-5-fluoropyridine-2-carboxylic acid
CID 140591032
5-aminopyridine-2-carboxylic acid;(5-amino-2-pyridinyl)-[4-(dimethylamino)piperidin-1-yl]methanone;N,N-dimethylpiperidin-4-amine;1,1,1,4,4,4-hexafluorobutane-2,3-dione
CID 161736504
3-[[(1R)-1-[2-(4,4-difluoropiperidin-1-yl)-7-methyl-4-oxopyrido[1,2-a]pyrimidin-9-yl]ethyl]amino]pyridine-2-carboxylic acid
CID 168201994
3-[[(1R)-1-[4-oxo-2-piperidin-1-yl-7-(trifluoromethyl)pyrido[1,2-a]pyrimidin-9-yl]ethyl]amino]pyridine-2-carboxylic acid
CID 168202154
3-[[(1R)-1-[2-(3,3-difluoropiperidin-1-yl)-7-methyl-4-oxopyrido[1,2-a]pyrimidin-9-yl]ethyl]amino]pyridine-2-carboxylic acid
CID 168202968
3-[[(1S)-2,2,2-trifluoro-1-(7-methyl-4-oxo-2-piperidin-1-yl-6,7-dihydropyrido[1,2-a]pyrimidin-9-yl)ethyl]amino]pyridine-2-carboxylic acid
CID 168203042

Frequently Asked Questions

What is the IUPAC name of 3-aminopyridine-2-carboxylic acid;tert-butyl 2-(aminomethyl)piperidine-1-carboxylate;tert-butyl 2-[[(3-aminopyridine-2-carbonyl)amino]methyl]piperidine-1-carboxylate?
The IUPAC name of 3-aminopyridine-2-carboxylic acid;tert-butyl 2-(aminomethyl)piperidine-1-carboxylate;tert-butyl 2-[[(3-aminopyridine-2-carbonyl)amino]methyl]piperidine-1-carboxylate (CID 158073764) is 3-aminopyridine-2-carboxylic acid;tert-butyl 2-(aminomethyl)piperidine-1-carboxylate;tert-butyl 2-[[(3-aminopyridine-2-carbonyl)amino]methyl]piperidine-1-carboxylate.
What is the SMILES notation for 3-aminopyridine-2-carboxylic acid;tert-butyl 2-(aminomethyl)piperidine-1-carboxylate;tert-butyl 2-[[(3-aminopyridine-2-carbonyl)amino]methyl]piperidine-1-carboxylate?
The canonical SMILES for 3-aminopyridine-2-carboxylic acid;tert-butyl 2-(aminomethyl)piperidine-1-carboxylate;tert-butyl 2-[[(3-aminopyridine-2-carbonyl)amino]methyl]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCCCC1CN.CC(C)(C)OC(=O)N1CCCCC1CNC(=O)c1ncccc1N.Nc1cccnc1C(=O)O.
What is the InChIKey of 3-aminopyridine-2-carboxylic acid;tert-butyl 2-(aminomethyl)piperidine-1-carboxylate;tert-butyl 2-[[(3-aminopyridine-2-carbonyl)amino]methyl]piperidine-1-carboxylate?
The InChIKey is FMCXHVMAYYQPQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O3.C11H22N2O2.C6H6N2O2/c1-17(2,3)24-16(23)21-10-5-4-7-12(21)11-20-15(22)14-13(18)8-6-9-19-14;1-11(2,3)15-10(14)13-7-5-4-6-9(13)8-12;7-4-2-1-3-8-5(4)6(9)10/h6,8-9,12H,4-5,7,10-11,18H2,1-3H3,(H,20,22);9H,4-8,12H2,1-3H3;1-3H,7H2,(H,9,10).
What are the key properties of 3-aminopyridine-2-carboxylic acid;tert-butyl 2-(aminomethyl)piperidine-1-carboxylate;tert-butyl 2-[[(3-aminopyridine-2-carbonyl)amino]methyl]piperidine-1-carboxylate?
3-aminopyridine-2-carboxylic acid;tert-butyl 2-(aminomethyl)piperidine-1-carboxylate;tert-butyl 2-[[(3-aminopyridine-2-carbonyl)amino]methyl]piperidine-1-carboxylate has a molecular weight of 686.86 g/mol, XLogP of 4.28, 5 rotatable bonds, 5 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 3-aminopyridine-2-carboxylic acid;tert-butyl 2-(aminomethyl)piperidine-1-carboxylate;tert-butyl 2-[[(3-aminopyridine-2-carbonyl)amino]methyl]piperidine-1-carboxylate is sourced from PubChem (CID 158073764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).