2-[(3-amino-2-pyridinyl)amino]-1-piperidin-1-ylethanone

C12H18N4O — CID 113405876

IUPAC2-[(3-amino-2-pyridinyl)amino]-1-piperidin-1-ylethanone
SMILESNc1cccnc1NCC(=O)N1CCCCC1
InChIInChI=1S/C12H18N4O/c13-10-5-4-6-14-12(10)15-9-11(17)16-7-2-1-3-8-16/h4-6H,1-3,7-9,13H2,(H,14,15)
InChIKeyXNEXTBVKHWDEBG-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.09
Rot. Bonds3

About 2-[(3-amino-2-pyridinyl)amino]-1-piperidin-1-ylethanone

2-[(3-amino-2-pyridinyl)amino]-1-piperidin-1-ylethanone (PubChem CID 113405876) has the molecular formula C12H18N4O and a molecular weight of 234.30 g/mol. Its IUPAC name is 2-[(3-amino-2-pyridinyl)amino]-1-piperidin-1-ylethanone.

Molecular Properties

Compound Name2-[(3-amino-2-pyridinyl)amino]-1-piperidin-1-ylethanone
PubChem CID113405876
Molecular FormulaC12H18N4O
Molecular Weight234.30 g/mol
Exact Mass234.15
IUPAC Name2-[(3-amino-2-pyridinyl)amino]-1-piperidin-1-ylethanone
SMILESNc1cccnc1NCC(=O)N1CCCCC1
InChIInChI=1S/C12H18N4O/c13-10-5-4-6-14-12(10)15-9-11(17)16-7-2-1-3-8-16/h4-6H,1-3,7-9,13H2,(H,14,15)
InChIKeyXNEXTBVKHWDEBG-UHFFFAOYSA-N
XLogP1.09
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-piperidin-1-yl-2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethanone
CID 115677839
5-amino-6-[(2-oxo-2-piperidin-1-ylethyl)amino]pyridine-2-carboxylic acid
CID 114407658
2-[(3-amino-2-pyridinyl)amino]acetamide
CID 14390487
2-[(3-amino-2-pyridinyl)sulfanyl]-1-(azepan-1-yl)ethanone
CID 43300790
2-[(2-amino-4-pyridinyl)amino]-1-piperidin-1-ylethanone
CID 113406477
2-[(3-methyl-2-pyridinyl)amino]-1-piperazin-1-ylethanone
CID 62255323
2-(3,4-diaminoanilino)-1-piperidin-1-ylethanone
CID 106751115
2-(2-aminophenyl)-N-(2-oxo-2-piperidin-1-ylethyl)acetamide
CID 115597732
2-[(3-methylsulfonyl-2-pyridinyl)amino]-1-piperazin-1-ylethanone
CID 114599217
2-[(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)amino]-1-piperidin-1-ylethanone
CID 115677808
3-[(2-oxo-2-pyrrolidin-1-ylethyl)sulfamoyl]pyridine-2-carbothioamide
CID 106597777
N-(3-amino-2-pyridinyl)-3-methylpiperidine-1-carboxamide
CID 113391868

Frequently Asked Questions

What is the IUPAC name of 2-[(3-amino-2-pyridinyl)amino]-1-piperidin-1-ylethanone?
The IUPAC name of 2-[(3-amino-2-pyridinyl)amino]-1-piperidin-1-ylethanone (CID 113405876) is 2-[(3-amino-2-pyridinyl)amino]-1-piperidin-1-ylethanone.
What is the SMILES notation for 2-[(3-amino-2-pyridinyl)amino]-1-piperidin-1-ylethanone?
The canonical SMILES for 2-[(3-amino-2-pyridinyl)amino]-1-piperidin-1-ylethanone is Nc1cccnc1NCC(=O)N1CCCCC1.
What is the InChIKey of 2-[(3-amino-2-pyridinyl)amino]-1-piperidin-1-ylethanone?
The InChIKey is XNEXTBVKHWDEBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O/c13-10-5-4-6-14-12(10)15-9-11(17)16-7-2-1-3-8-16/h4-6H,1-3,7-9,13H2,(H,14,15).
What are the key properties of 2-[(3-amino-2-pyridinyl)amino]-1-piperidin-1-ylethanone?
2-[(3-amino-2-pyridinyl)amino]-1-piperidin-1-ylethanone has a molecular weight of 234.30 g/mol, XLogP of 1.09, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-amino-2-pyridinyl)amino]-1-piperidin-1-ylethanone is sourced from PubChem (CID 113405876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).