pyridin-3-yl-[6-(3-pyridin-3-ylpiperidin-1-yl)-2-pyridinyl]methanone

C21H20N4O — CID 123379335

IUPACpyridin-3-yl-[6-(3-pyridin-3-ylpiperidin-1-yl)-2-pyridinyl]methanone
SMILESO=C(c1cccnc1)c1cccc(N2CCCC(c3cccnc3)C2)n1
InChIInChI=1S/C21H20N4O/c26-21(17-6-3-11-23-14-17)19-8-1-9-20(24-19)25-12-4-7-18(15-25)16-5-2-10-22-13-16/h1-3,5-6,8-11,13-14,18H,4,7,12,15H2
InChIKeyNTASENFSRZZUOS-UHFFFAOYSA-N
MW344.42 g/mol
LogP3.49
Rot. Bonds4

About pyridin-3-yl-[6-(3-pyridin-3-ylpiperidin-1-yl)-2-pyridinyl]methanone

pyridin-3-yl-[6-(3-pyridin-3-ylpiperidin-1-yl)-2-pyridinyl]methanone (PubChem CID 123379335) has the molecular formula C21H20N4O and a molecular weight of 344.42 g/mol. Its IUPAC name is pyridin-3-yl-[6-(3-pyridin-3-ylpiperidin-1-yl)-2-pyridinyl]methanone.

Molecular Properties

Compound Namepyridin-3-yl-[6-(3-pyridin-3-ylpiperidin-1-yl)-2-pyridinyl]methanone
PubChem CID123379335
Molecular FormulaC21H20N4O
Molecular Weight344.42 g/mol
Exact Mass344.16
IUPAC Namepyridin-3-yl-[6-(3-pyridin-3-ylpiperidin-1-yl)-2-pyridinyl]methanone
SMILESO=C(c1cccnc1)c1cccc(N2CCCC(c3cccnc3)C2)n1
InChIInChI=1S/C21H20N4O/c26-21(17-6-3-11-23-14-17)19-8-1-9-20(24-19)25-12-4-7-18(15-25)16-5-2-10-22-13-16/h1-3,5-6,8-11,13-14,18H,4,7,12,15H2
InChIKeyNTASENFSRZZUOS-UHFFFAOYSA-N
XLogP3.49
TPSA58.98 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[6-[3-(3-chlorophenyl)piperazin-1-yl]-2-pyridinyl]-pyridin-3-ylmethanone
CID 90324959
(2-methyl-3-pyridinyl)-[6-(3-phenylpiperidin-1-yl)-2-pyridinyl]methanone;molecular hydrogen
CID 158547261
(2-methyl-3-pyridinyl)-[6-[(3S)-3-phenylpiperidin-1-yl]-2-pyridinyl]methanone;molecular hydrogen
CID 158547259
[6-[3-(3-methoxyphenyl)piperidin-1-yl]-2-pyridinyl]-(2-methyl-3-pyridinyl)methanone
CID 58207464
2-methyl-1-[4-[6-(pyridine-3-carbonyl)-2-pyridinyl]-1,4-diazepan-1-yl]propan-1-one
CID 67738523
[6-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-pyridin-3-ylmethanone
CID 67739670
[6-[4-(2-phenylethyl)-1,4-diazepan-1-yl]-2-pyridinyl]-pyridin-3-ylmethanone
CID 67739145
2-methylsulfonyl-1-[4-[6-(pyridine-3-carbonyl)-2-pyridinyl]-1,4-diazepan-1-yl]ethanone
CID 67738464
[6-[4-(1-methylimidazole-2-carbonyl)-1,4-diazepan-1-yl]-2-pyridinyl]-pyridin-3-ylmethanone
CID 67738653
2,2-dimethylpropyl 4-[6-(pyridine-3-carbonyl)-2-pyridinyl]-1,4-diazepane-1-carboxylate
CID 67738504
2-(4-methylphenyl)-1-[4-[6-(pyridine-3-carbonyl)-2-pyridinyl]-1,4-diazepan-1-yl]ethanone
CID 67738528
6-[(3S)-1-(pyridine-3-carbonyl)piperidin-3-yl]pyridine-2-carboxamide
CID 95818545

Frequently Asked Questions

What is the IUPAC name of pyridin-3-yl-[6-(3-pyridin-3-ylpiperidin-1-yl)-2-pyridinyl]methanone?
The IUPAC name of pyridin-3-yl-[6-(3-pyridin-3-ylpiperidin-1-yl)-2-pyridinyl]methanone (CID 123379335) is pyridin-3-yl-[6-(3-pyridin-3-ylpiperidin-1-yl)-2-pyridinyl]methanone.
What is the SMILES notation for pyridin-3-yl-[6-(3-pyridin-3-ylpiperidin-1-yl)-2-pyridinyl]methanone?
The canonical SMILES for pyridin-3-yl-[6-(3-pyridin-3-ylpiperidin-1-yl)-2-pyridinyl]methanone is O=C(c1cccnc1)c1cccc(N2CCCC(c3cccnc3)C2)n1.
What is the InChIKey of pyridin-3-yl-[6-(3-pyridin-3-ylpiperidin-1-yl)-2-pyridinyl]methanone?
The InChIKey is NTASENFSRZZUOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O/c26-21(17-6-3-11-23-14-17)19-8-1-9-20(24-19)25-12-4-7-18(15-25)16-5-2-10-22-13-16/h1-3,5-6,8-11,13-14,18H,4,7,12,15H2.
What are the key properties of pyridin-3-yl-[6-(3-pyridin-3-ylpiperidin-1-yl)-2-pyridinyl]methanone?
pyridin-3-yl-[6-(3-pyridin-3-ylpiperidin-1-yl)-2-pyridinyl]methanone has a molecular weight of 344.42 g/mol, XLogP of 3.49, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for pyridin-3-yl-[6-(3-pyridin-3-ylpiperidin-1-yl)-2-pyridinyl]methanone is sourced from PubChem (CID 123379335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).