2-[2-[3-[1-(cyclopentanecarbonyl)piperidin-4-yl]-1-methylindol-5-yl]acetyl]pyridine-4-carbonitrile

C28H30N4O2 — CID 147676230

IUPAC2-[2-[3-[1-(cyclopentanecarbonyl)piperidin-4-yl]-1-methylindol-5-yl]acetyl]pyridine-4-carbonitrile
SMILESCn1cc(C2CCN(C(=O)C3CCCC3)CC2)c2cc(CC(=O)c3cc(C#N)ccn3)ccc21
InChIInChI=1S/C28H30N4O2/c1-31-18-24(21-9-12-32(13-10-21)28(34)22-4-2-3-5-22)23-14-19(6-7-26(23)31)16-27(33)25-15-20(17-29)8-11-30-25/h6-8,11,14-15,18,21-22H,2-5,9-10,12-13,16H2,1H3
InChIKeyGOFKVWNQCANDBR-UHFFFAOYSA-N
MW454.57 g/mol
LogP4.77
Rot. Bonds5

About 2-[2-[3-[1-(cyclopentanecarbonyl)piperidin-4-yl]-1-methylindol-5-yl]acetyl]pyridine-4-carbonitrile

2-[2-[3-[1-(cyclopentanecarbonyl)piperidin-4-yl]-1-methylindol-5-yl]acetyl]pyridine-4-carbonitrile (PubChem CID 147676230) has the molecular formula C28H30N4O2 and a molecular weight of 454.57 g/mol. Its IUPAC name is 2-[2-[3-[1-(cyclopentanecarbonyl)piperidin-4-yl]-1-methylindol-5-yl]acetyl]pyridine-4-carbonitrile.

Molecular Properties

Compound Name2-[2-[3-[1-(cyclopentanecarbonyl)piperidin-4-yl]-1-methylindol-5-yl]acetyl]pyridine-4-carbonitrile
PubChem CID147676230
Molecular FormulaC28H30N4O2
Molecular Weight454.57 g/mol
Exact Mass454.24
IUPAC Name2-[2-[3-[1-(cyclopentanecarbonyl)piperidin-4-yl]-1-methylindol-5-yl]acetyl]pyridine-4-carbonitrile
SMILESCn1cc(C2CCN(C(=O)C3CCCC3)CC2)c2cc(CC(=O)c3cc(C#N)ccn3)ccc21
InChIInChI=1S/C28H30N4O2/c1-31-18-24(21-9-12-32(13-10-21)28(34)22-4-2-3-5-22)23-14-19(6-7-26(23)31)16-27(33)25-15-20(17-29)8-11-30-25/h6-8,11,14-15,18,21-22H,2-5,9-10,12-13,16H2,1H3
InChIKeyGOFKVWNQCANDBR-UHFFFAOYSA-N
XLogP4.77
TPSA78.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.57
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[3-[1-(cyclopentanecarbonyl)piperidin-4-yl]-1-methylindol-5-yl]acetyl]pyridine-4-carbonitrile?
The IUPAC name of 2-[2-[3-[1-(cyclopentanecarbonyl)piperidin-4-yl]-1-methylindol-5-yl]acetyl]pyridine-4-carbonitrile (CID 147676230) is 2-[2-[3-[1-(cyclopentanecarbonyl)piperidin-4-yl]-1-methylindol-5-yl]acetyl]pyridine-4-carbonitrile.
What is the SMILES notation for 2-[2-[3-[1-(cyclopentanecarbonyl)piperidin-4-yl]-1-methylindol-5-yl]acetyl]pyridine-4-carbonitrile?
The canonical SMILES for 2-[2-[3-[1-(cyclopentanecarbonyl)piperidin-4-yl]-1-methylindol-5-yl]acetyl]pyridine-4-carbonitrile is Cn1cc(C2CCN(C(=O)C3CCCC3)CC2)c2cc(CC(=O)c3cc(C#N)ccn3)ccc21.
What is the InChIKey of 2-[2-[3-[1-(cyclopentanecarbonyl)piperidin-4-yl]-1-methylindol-5-yl]acetyl]pyridine-4-carbonitrile?
The InChIKey is GOFKVWNQCANDBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N4O2/c1-31-18-24(21-9-12-32(13-10-21)28(34)22-4-2-3-5-22)23-14-19(6-7-26(23)31)16-27(33)25-15-20(17-29)8-11-30-25/h6-8,11,14-15,18,21-22H,2-5,9-10,12-13,16H2,1H3.
What are the key properties of 2-[2-[3-[1-(cyclopentanecarbonyl)piperidin-4-yl]-1-methylindol-5-yl]acetyl]pyridine-4-carbonitrile?
2-[2-[3-[1-(cyclopentanecarbonyl)piperidin-4-yl]-1-methylindol-5-yl]acetyl]pyridine-4-carbonitrile has a molecular weight of 454.57 g/mol, XLogP of 4.77, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[3-[1-(cyclopentanecarbonyl)piperidin-4-yl]-1-methylindol-5-yl]acetyl]pyridine-4-carbonitrile is sourced from PubChem (CID 147676230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).