[2-(5-amino-3-pyridinyl)-4-pyridinyl]-piperidin-1-ylmethanone

C16H18N4O — CID 74232037

IUPAC[2-(5-amino-3-pyridinyl)-4-pyridinyl]-piperidin-1-ylmethanone
SMILESNc1cncc(-c2cc(C(=O)N3CCCCC3)ccn2)c1
InChIInChI=1S/C16H18N4O/c17-14-8-13(10-18-11-14)15-9-12(4-5-19-15)16(21)20-6-2-1-3-7-20/h4-5,8-11H,1-3,6-7,17H2
InChIKeyYEAAPXCJJKMNSP-UHFFFAOYSA-N
MW282.35 g/mol
LogP2.35
Rot. Bonds2

About [2-(5-amino-3-pyridinyl)-4-pyridinyl]-piperidin-1-ylmethanone

[2-(5-amino-3-pyridinyl)-4-pyridinyl]-piperidin-1-ylmethanone (PubChem CID 74232037) has the molecular formula C16H18N4O and a molecular weight of 282.35 g/mol. Its IUPAC name is [2-(5-amino-3-pyridinyl)-4-pyridinyl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[2-(5-amino-3-pyridinyl)-4-pyridinyl]-piperidin-1-ylmethanone
PubChem CID74232037
Molecular FormulaC16H18N4O
Molecular Weight282.35 g/mol
Exact Mass282.15
IUPAC Name[2-(5-amino-3-pyridinyl)-4-pyridinyl]-piperidin-1-ylmethanone
SMILESNc1cncc(-c2cc(C(=O)N3CCCCC3)ccn2)c1
InChIInChI=1S/C16H18N4O/c17-14-8-13(10-18-11-14)15-9-12(4-5-19-15)16(21)20-6-2-1-3-7-20/h4-5,8-11H,1-3,6-7,17H2
InChIKeyYEAAPXCJJKMNSP-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)-3-pyridinyl]-piperidin-1-ylmethanone
CID 74240099
[1-[3-(4-amino-2-pyridinyl)benzoyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 119064242
[2-(5-methyl-3-pyridinyl)-4-pyridinyl]-morpholin-4-ylmethanone
CID 74233897
[2-[4-(1H-pyrazol-4-yl)phenyl]-4-pyridinyl]-pyrrolidin-1-ylmethanone
CID 121494580
[2-(azepane-1-carbonyl)-4-pyridinyl]-pyrrolidin-1-ylmethanone
CID 109080392
[3-(4-aminophenyl)quinoxalin-6-yl]-piperidin-1-ylmethanone
CID 135300412
[2-(aminomethyl)-4-pyridinyl]-(azocan-1-yl)methanone
CID 114325572
[2-(aminomethyl)-4-pyridinyl]-(azepan-1-yl)methanone
CID 112530475
(3-aminophenyl)-(azocan-1-yl)methanone;hydrochloride
CID 119676424
[2-[4-(morpholine-4-carbonyl)-2-pyridinyl]-4-pyridinyl]-morpholin-4-ylmethanone
CID 171623322
[2-[3-(1H-pyrazol-5-yl)phenyl]-4-pyridinyl]-pyrrolidin-1-ylmethanone
CID 28881895
azepan-1-yl-(2-tert-butyl-4-pyridinyl)methanone
CID 4731353

Frequently Asked Questions

What is the IUPAC name of [2-(5-amino-3-pyridinyl)-4-pyridinyl]-piperidin-1-ylmethanone?
The IUPAC name of [2-(5-amino-3-pyridinyl)-4-pyridinyl]-piperidin-1-ylmethanone (CID 74232037) is [2-(5-amino-3-pyridinyl)-4-pyridinyl]-piperidin-1-ylmethanone.
What is the SMILES notation for [2-(5-amino-3-pyridinyl)-4-pyridinyl]-piperidin-1-ylmethanone?
The canonical SMILES for [2-(5-amino-3-pyridinyl)-4-pyridinyl]-piperidin-1-ylmethanone is Nc1cncc(-c2cc(C(=O)N3CCCCC3)ccn2)c1.
What is the InChIKey of [2-(5-amino-3-pyridinyl)-4-pyridinyl]-piperidin-1-ylmethanone?
The InChIKey is YEAAPXCJJKMNSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O/c17-14-8-13(10-18-11-14)15-9-12(4-5-19-15)16(21)20-6-2-1-3-7-20/h4-5,8-11H,1-3,6-7,17H2.
What are the key properties of [2-(5-amino-3-pyridinyl)-4-pyridinyl]-piperidin-1-ylmethanone?
[2-(5-amino-3-pyridinyl)-4-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)-4-pyridinyl]-piperidin-1-ylmethanone is sourced from PubChem (CID 74232037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).