[2-(5-amino-3-pyridinyl)-3-pyridinyl]-piperidin-1-ylmethanone

C16H18N4O — CID 74240099

IUPAC[2-(5-amino-3-pyridinyl)-3-pyridinyl]-piperidin-1-ylmethanone
SMILESNc1cncc(-c2ncccc2C(=O)N2CCCCC2)c1
InChIInChI=1S/C16H18N4O/c17-13-9-12(10-18-11-13)15-14(5-4-6-19-15)16(21)20-7-2-1-3-8-20/h4-6,9-11H,1-3,7-8,17H2
InChIKeyWWHVVCSXTNDRAC-UHFFFAOYSA-N
MW282.35 g/mol
LogP2.35
Rot. Bonds2

About [2-(5-amino-3-pyridinyl)-3-pyridinyl]-piperidin-1-ylmethanone

[2-(5-amino-3-pyridinyl)-3-pyridinyl]-piperidin-1-ylmethanone (PubChem CID 74240099) has the molecular formula C16H18N4O and a molecular weight of 282.35 g/mol. Its IUPAC name is [2-(5-amino-3-pyridinyl)-3-pyridinyl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[2-(5-amino-3-pyridinyl)-3-pyridinyl]-piperidin-1-ylmethanone
PubChem CID74240099
Molecular FormulaC16H18N4O
Molecular Weight282.35 g/mol
Exact Mass282.15
IUPAC Name[2-(5-amino-3-pyridinyl)-3-pyridinyl]-piperidin-1-ylmethanone
SMILESNc1cncc(-c2ncccc2C(=O)N2CCCCC2)c1
InChIInChI=1S/C16H18N4O/c17-13-9-12(10-18-11-13)15-14(5-4-6-19-15)16(21)20-7-2-1-3-8-20/h4-6,9-11H,1-3,7-8,17H2
InChIKeyWWHVVCSXTNDRAC-UHFFFAOYSA-N
XLogP2.35
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(5-amino-3-pyridinyl)-4-pyridinyl]-piperidin-1-ylmethanone
CID 74232037
[2-(4-methylsulfonylphenyl)-3-pyridinyl]-piperidin-1-ylmethanone
CID 74242283
azepan-1-yl-[1-[2-(2-methylphenyl)pyridine-3-carbonyl]piperidin-4-yl]methanone
CID 46390269
[2-(4-fluoro-2-methoxyphenyl)-3-pyridinyl]-piperidin-1-ylmethanone
CID 74230165
(2-aminophenyl)-(azepan-1-yl)methanone
CID 726247
(2-aminophenyl)-piperidin-1-ylmethanone
CID 558730
1-[4-[2-(1,3-thiazol-5-yl)pyridine-3-carbonyl]-1,4-diazepan-1-yl]ethanone
CID 110111120
[2-(2-methoxy-5-methylphenyl)-3-pyridinyl]-pyrrolidin-1-ylmethanone
CID 74249651
[2-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-3-pyridinyl]-piperidin-1-ylmethanone
CID 56884668
[2-(6-methoxy-1,3-benzodioxol-5-yl)-3-pyridinyl]-piperidin-1-ylmethanone
CID 162638191
[4-(4,6-dimethylpyrimidin-2-yl)-1,4-diazepan-1-yl]-(2-phenyl-3-pyridinyl)methanone
CID 118174797
[2-(5-fluoro-2-methoxyphenyl)-3-pyridinyl]-pyrrolidin-1-ylmethanone
CID 74242509

Frequently Asked Questions

What is the IUPAC name of [2-(5-amino-3-pyridinyl)-3-pyridinyl]-piperidin-1-ylmethanone?
The IUPAC name of [2-(5-amino-3-pyridinyl)-3-pyridinyl]-piperidin-1-ylmethanone (CID 74240099) is [2-(5-amino-3-pyridinyl)-3-pyridinyl]-piperidin-1-ylmethanone.
What is the SMILES notation for [2-(5-amino-3-pyridinyl)-3-pyridinyl]-piperidin-1-ylmethanone?
The canonical SMILES for [2-(5-amino-3-pyridinyl)-3-pyridinyl]-piperidin-1-ylmethanone is Nc1cncc(-c2ncccc2C(=O)N2CCCCC2)c1.
What is the InChIKey of [2-(5-amino-3-pyridinyl)-3-pyridinyl]-piperidin-1-ylmethanone?
The InChIKey is WWHVVCSXTNDRAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O/c17-13-9-12(10-18-11-13)15-14(5-4-6-19-15)16(21)20-7-2-1-3-8-20/h4-6,9-11H,1-3,7-8,17H2.
What are the key properties of [2-(5-amino-3-pyridinyl)-3-pyridinyl]-piperidin-1-ylmethanone?
[2-(5-amino-3-pyridinyl)-3-pyridinyl]-piperidin-1-ylmethanone has a molecular weight of 282.35 g/mol, XLogP of 2.35, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(5-amino-3-pyridinyl)-3-pyridinyl]-piperidin-1-ylmethanone is sourced from PubChem (CID 74240099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).