ethyl 2-[(3-amino-4-pyridinyl)amino]piperidine-1-carboxylate

C13H20N4O2 — CID 69191570

IUPACethyl 2-[(3-amino-4-pyridinyl)amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCCCC1Nc1ccncc1N
InChIInChI=1S/C13H20N4O2/c1-2-19-13(18)17-8-4-3-5-12(17)16-11-6-7-15-9-10(11)14/h6-7,9,12H,2-5,8,14H2,1H3,(H,15,16)
InChIKeyVJNRPFZDHIJEDL-UHFFFAOYSA-N
MW264.33 g/mol
LogP2.04
Rot. Bonds3

About ethyl 2-[(3-amino-4-pyridinyl)amino]piperidine-1-carboxylate

ethyl 2-[(3-amino-4-pyridinyl)amino]piperidine-1-carboxylate (PubChem CID 69191570) has the molecular formula C13H20N4O2 and a molecular weight of 264.33 g/mol. Its IUPAC name is ethyl 2-[(3-amino-4-pyridinyl)amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 2-[(3-amino-4-pyridinyl)amino]piperidine-1-carboxylate
PubChem CID69191570
Molecular FormulaC13H20N4O2
Molecular Weight264.33 g/mol
Exact Mass264.16
IUPAC Nameethyl 2-[(3-amino-4-pyridinyl)amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCCCC1Nc1ccncc1N
InChIInChI=1S/C13H20N4O2/c1-2-19-13(18)17-8-4-3-5-12(17)16-11-6-7-15-9-10(11)14/h6-7,9,12H,2-5,8,14H2,1H3,(H,15,16)
InChIKeyVJNRPFZDHIJEDL-UHFFFAOYSA-N
XLogP2.04
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-amino-4-pyridinyl)cyclooctanecarboxamide
CID 65019463
4-[(3-amino-4-pyridinyl)amino]piperidine-1-carboxylic acid
CID 143481512
ethyl 4-[(4-methyl-3-pyridinyl)amino]piperidine-1-carboxylate
CID 63329550
4-N-(2,2-dimethylcyclohexyl)pyridine-3,4-diamine
CID 79861244
4-N-(cyclopropylmethyl)pyridine-3,4-diamine
CID 28902438
(3-amino-4-pyridinyl)-[2-(hydroxymethyl)piperidin-1-yl]methanone
CID 105069483
ethyl 2-[(1-benzylbenzimidazol-2-yl)amino]azepane-1-carboxylate
CID 67895902
ethyl 4-[(3-nitro-4-pyridinyl)amino]piperidine-1-carboxylate
CID 23374509
ethyl 2-phenylpiperidine-1-carboxylate
CID 12791774
N-(3-amino-4-pyridinyl)-2-methylpiperidine-1-sulfonamide
CID 63063634
2-[(3-amino-4-pyridinyl)amino]-N-cyclopropylacetamide
CID 43568204
ethyl 1-(3-methyl-4-pyridinyl)piperidine-2-carboxylate
CID 113331444

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(3-amino-4-pyridinyl)amino]piperidine-1-carboxylate?
The IUPAC name of ethyl 2-[(3-amino-4-pyridinyl)amino]piperidine-1-carboxylate (CID 69191570) is ethyl 2-[(3-amino-4-pyridinyl)amino]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 2-[(3-amino-4-pyridinyl)amino]piperidine-1-carboxylate?
The canonical SMILES for ethyl 2-[(3-amino-4-pyridinyl)amino]piperidine-1-carboxylate is CCOC(=O)N1CCCCC1Nc1ccncc1N.
What is the InChIKey of ethyl 2-[(3-amino-4-pyridinyl)amino]piperidine-1-carboxylate?
The InChIKey is VJNRPFZDHIJEDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2/c1-2-19-13(18)17-8-4-3-5-12(17)16-11-6-7-15-9-10(11)14/h6-7,9,12H,2-5,8,14H2,1H3,(H,15,16).
What are the key properties of ethyl 2-[(3-amino-4-pyridinyl)amino]piperidine-1-carboxylate?
ethyl 2-[(3-amino-4-pyridinyl)amino]piperidine-1-carboxylate has a molecular weight of 264.33 g/mol, XLogP of 2.04, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(3-amino-4-pyridinyl)amino]piperidine-1-carboxylate is sourced from PubChem (CID 69191570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).