(3-pyridin-3-ylpiperidin-1-yl)-(6-pyrrol-1-yl-3-pyridinyl)methanone

C20H20N4O — CID 154843398

IUPAC(3-pyridin-3-ylpiperidin-1-yl)-(6-pyrrol-1-yl-3-pyridinyl)methanone
SMILESO=C(c1ccc(-n2cccc2)nc1)N1CCCC(c2cccnc2)C1
InChIInChI=1S/C20H20N4O/c25-20(17-7-8-19(22-14-17)23-10-1-2-11-23)24-12-4-6-18(15-24)16-5-3-9-21-13-16/h1-3,5,7-11,13-14,18H,4,6,12,15H2
InChIKeyWKZRRGODAQHGAM-UHFFFAOYSA-N
MW332.41 g/mol
LogP3.29
Rot. Bonds3

About (3-pyridin-3-ylpiperidin-1-yl)-(6-pyrrol-1-yl-3-pyridinyl)methanone

(3-pyridin-3-ylpiperidin-1-yl)-(6-pyrrol-1-yl-3-pyridinyl)methanone (PubChem CID 154843398) has the molecular formula C20H20N4O and a molecular weight of 332.41 g/mol. Its IUPAC name is (3-pyridin-3-ylpiperidin-1-yl)-(6-pyrrol-1-yl-3-pyridinyl)methanone.

Molecular Properties

Compound Name(3-pyridin-3-ylpiperidin-1-yl)-(6-pyrrol-1-yl-3-pyridinyl)methanone
PubChem CID154843398
Molecular FormulaC20H20N4O
Molecular Weight332.41 g/mol
Exact Mass332.16
IUPAC Name(3-pyridin-3-ylpiperidin-1-yl)-(6-pyrrol-1-yl-3-pyridinyl)methanone
SMILESO=C(c1ccc(-n2cccc2)nc1)N1CCCC(c2cccnc2)C1
InChIInChI=1S/C20H20N4O/c25-20(17-7-8-19(22-14-17)23-10-1-2-11-23)24-12-4-6-18(15-24)16-5-3-9-21-13-16/h1-3,5,7-11,13-14,18H,4,6,12,15H2
InChIKeyWKZRRGODAQHGAM-UHFFFAOYSA-N
XLogP3.29
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.41
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4-iodophenyl)-[(3R)-3-pyridin-3-ylpyrrolidin-1-yl]methanone
CID 96537371
[(3S)-3-pyrazin-2-ylpiperidin-1-yl]-(6-pyrazol-1-yl-3-pyridinyl)methanone
CID 125013420
[3-(2-methoxyethoxy)phenyl]-(3-pyridin-3-ylpiperidin-1-yl)methanone
CID 126826318
(6-pyrazol-1-yl-3-pyridinyl)-[(3S)-3-(pyridin-3-ylmethyl)piperidin-1-yl]methanone
CID 125000089
(4-pyrazol-1-ylphenyl)-(3-pyridin-3-ylpyrrolidin-1-yl)methanone
CID 67389917
(3-pyrazin-2-ylpiperidin-1-yl)-pyridin-3-ylmethanone
CID 110224388
[6-(3-hydroxyazetidin-1-yl)-3-pyridinyl]-[(4R)-4-phenylazepan-1-yl]methanone
CID 95205942
[4-(1-methyl-1,2,4-triazol-3-yl)phenyl]-(3-pyridin-3-ylpyrrolidin-1-yl)methanone
CID 146092927
(3-methylpiperidin-1-yl)-(6-pyrazol-1-yl-3-pyridinyl)methanone
CID 53014451
[(4R)-4-hydroxyazepan-1-yl]-(6-imidazol-1-yl-3-pyridinyl)methanone
CID 129353584
(6-methyl-3-pyridinyl)-[3-[1-(pyridin-3-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone
CID 72923628
[(3S)-3-(2-aminopyrimidin-4-yl)piperidin-1-yl]-pyridin-3-ylmethanone
CID 95824096

Frequently Asked Questions

What is the IUPAC name of (3-pyridin-3-ylpiperidin-1-yl)-(6-pyrrol-1-yl-3-pyridinyl)methanone?
The IUPAC name of (3-pyridin-3-ylpiperidin-1-yl)-(6-pyrrol-1-yl-3-pyridinyl)methanone (CID 154843398) is (3-pyridin-3-ylpiperidin-1-yl)-(6-pyrrol-1-yl-3-pyridinyl)methanone.
What is the SMILES notation for (3-pyridin-3-ylpiperidin-1-yl)-(6-pyrrol-1-yl-3-pyridinyl)methanone?
The canonical SMILES for (3-pyridin-3-ylpiperidin-1-yl)-(6-pyrrol-1-yl-3-pyridinyl)methanone is O=C(c1ccc(-n2cccc2)nc1)N1CCCC(c2cccnc2)C1.
What is the InChIKey of (3-pyridin-3-ylpiperidin-1-yl)-(6-pyrrol-1-yl-3-pyridinyl)methanone?
The InChIKey is WKZRRGODAQHGAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O/c25-20(17-7-8-19(22-14-17)23-10-1-2-11-23)24-12-4-6-18(15-24)16-5-3-9-21-13-16/h1-3,5,7-11,13-14,18H,4,6,12,15H2.
What are the key properties of (3-pyridin-3-ylpiperidin-1-yl)-(6-pyrrol-1-yl-3-pyridinyl)methanone?
(3-pyridin-3-ylpiperidin-1-yl)-(6-pyrrol-1-yl-3-pyridinyl)methanone has a molecular weight of 332.41 g/mol, XLogP of 3.29, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-pyridin-3-ylpiperidin-1-yl)-(6-pyrrol-1-yl-3-pyridinyl)methanone is sourced from PubChem (CID 154843398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).