2-[(2-amino-4-pyridinyl)amino]-1-piperidin-1-ylethanone

C12H18N4O — CID 113406477

IUPAC2-[(2-amino-4-pyridinyl)amino]-1-piperidin-1-ylethanone
SMILESNc1cc(NCC(=O)N2CCCCC2)ccn1
InChIInChI=1S/C12H18N4O/c13-11-8-10(4-5-14-11)15-9-12(17)16-6-2-1-3-7-16/h4-5,8H,1-3,6-7,9H2,(H3,13,14,15)
InChIKeyLKXKLTXRTFSKNF-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.09
Rot. Bonds3

About 2-[(2-amino-4-pyridinyl)amino]-1-piperidin-1-ylethanone

2-[(2-amino-4-pyridinyl)amino]-1-piperidin-1-ylethanone (PubChem CID 113406477) has the molecular formula C12H18N4O and a molecular weight of 234.30 g/mol. Its IUPAC name is 2-[(2-amino-4-pyridinyl)amino]-1-piperidin-1-ylethanone.

Molecular Properties

Compound Name2-[(2-amino-4-pyridinyl)amino]-1-piperidin-1-ylethanone
PubChem CID113406477
Molecular FormulaC12H18N4O
Molecular Weight234.30 g/mol
Exact Mass234.15
IUPAC Name2-[(2-amino-4-pyridinyl)amino]-1-piperidin-1-ylethanone
SMILESNc1cc(NCC(=O)N2CCCCC2)ccn1
InChIInChI=1S/C12H18N4O/c13-11-8-10(4-5-14-11)15-9-12(17)16-6-2-1-3-7-16/h4-5,8H,1-3,6-7,9H2,(H3,13,14,15)
InChIKeyLKXKLTXRTFSKNF-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

2-(3,4-diaminoanilino)-1-piperidin-1-ylethanone
CID 106751115
N,N-dimethyl-4-[(2-oxo-2-piperidin-1-ylethyl)amino]pyridine-2-carboxamide
CID 115677825
1-(azepan-1-yl)-2-(3-iodoanilino)ethanone
CID 28836114
4-N-(2-piperidin-1-ylpropyl)pyridine-2,4-diamine
CID 113367725
2-[(3-amino-2-pyridinyl)amino]-1-piperidin-1-ylethanone
CID 113405876
1-(azepan-1-yl)-2-[4-(piperidine-1-carbonyl)anilino]ethanone
CID 54841440
2-amino-5-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]pyridine-4-carboxylic acid
CID 114195336
2-(3-acetyl-4-aminoanilino)-1-pyrrolidin-1-ylethanone
CID 104613107
2-(4-ethylanilino)-1-piperidin-1-ylethanone
CID 28583235
2-fluoro-5-[(2-oxo-2-piperidin-1-ylethyl)amino]benzamide
CID 47063963
2-[(2-methyl-4-pyridinyl)amino]-1-morpholin-4-ylethanone
CID 133490707
2-(2,3-dihydro-1H-inden-5-ylamino)-1-pyrrolidin-1-ylethanone
CID 28578084

Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-4-pyridinyl)amino]-1-piperidin-1-ylethanone?
The IUPAC name of 2-[(2-amino-4-pyridinyl)amino]-1-piperidin-1-ylethanone (CID 113406477) is 2-[(2-amino-4-pyridinyl)amino]-1-piperidin-1-ylethanone.
What is the SMILES notation for 2-[(2-amino-4-pyridinyl)amino]-1-piperidin-1-ylethanone?
The canonical SMILES for 2-[(2-amino-4-pyridinyl)amino]-1-piperidin-1-ylethanone is Nc1cc(NCC(=O)N2CCCCC2)ccn1.
What is the InChIKey of 2-[(2-amino-4-pyridinyl)amino]-1-piperidin-1-ylethanone?
The InChIKey is LKXKLTXRTFSKNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O/c13-11-8-10(4-5-14-11)15-9-12(17)16-6-2-1-3-7-16/h4-5,8H,1-3,6-7,9H2,(H3,13,14,15).
What are the key properties of 2-[(2-amino-4-pyridinyl)amino]-1-piperidin-1-ylethanone?
2-[(2-amino-4-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-[(2-amino-4-pyridinyl)amino]-1-piperidin-1-ylethanone is sourced from PubChem (CID 113406477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).