6-cyclopentyloxy-N-[8-(4-methylpiperazin-1-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]pyridine-3-carboxamide

C26H34N4O2 — CID 74421931

IUPAC6-cyclopentyloxy-N-[8-(4-methylpiperazin-1-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]pyridine-3-carboxamide
SMILESCN1CCN(c2cccc3c2CC(NC(=O)c2ccc(OC4CCCC4)nc2)CC3)CC1
InChIInChI=1S/C26H34N4O2/c1-29-13-15-30(16-14-29)24-8-4-5-19-9-11-21(17-23(19)24)28-26(31)20-10-12-25(27-18-20)32-22-6-2-3-7-22/h4-5,8,10,12,18,21-22H,2-3,6-7,9,11,13-17H2,1H3,(H,28,31)
InChIKeyPGITXGWCMKNEKK-UHFFFAOYSA-N
MW434.58 g/mol
LogP3.44
Rot. Bonds5

About 6-cyclopentyloxy-N-[8-(4-methylpiperazin-1-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]pyridine-3-carboxamide

6-cyclopentyloxy-N-[8-(4-methylpiperazin-1-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]pyridine-3-carboxamide (PubChem CID 74421931) has the molecular formula C26H34N4O2 and a molecular weight of 434.58 g/mol. Its IUPAC name is 6-cyclopentyloxy-N-[8-(4-methylpiperazin-1-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-cyclopentyloxy-N-[8-(4-methylpiperazin-1-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]pyridine-3-carboxamide
PubChem CID74421931
Molecular FormulaC26H34N4O2
Molecular Weight434.58 g/mol
Exact Mass434.27
IUPAC Name6-cyclopentyloxy-N-[8-(4-methylpiperazin-1-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]pyridine-3-carboxamide
SMILESCN1CCN(c2cccc3c2CC(NC(=O)c2ccc(OC4CCCC4)nc2)CC3)CC1
InChIInChI=1S/C26H34N4O2/c1-29-13-15-30(16-14-29)24-8-4-5-19-9-11-21(17-23(19)24)28-26(31)20-10-12-25(27-18-20)32-22-6-2-3-7-22/h4-5,8,10,12,18,21-22H,2-3,6-7,9,11,13-17H2,1H3,(H,28,31)
InChIKeyPGITXGWCMKNEKK-UHFFFAOYSA-N
XLogP3.44
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.58
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-cyclopentyloxy-N-[8-(4-methylpiperazin-1-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]pyridine-3-carboxamide?
The IUPAC name of 6-cyclopentyloxy-N-[8-(4-methylpiperazin-1-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]pyridine-3-carboxamide (CID 74421931) is 6-cyclopentyloxy-N-[8-(4-methylpiperazin-1-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]pyridine-3-carboxamide.
What is the SMILES notation for 6-cyclopentyloxy-N-[8-(4-methylpiperazin-1-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]pyridine-3-carboxamide?
The canonical SMILES for 6-cyclopentyloxy-N-[8-(4-methylpiperazin-1-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]pyridine-3-carboxamide is CN1CCN(c2cccc3c2CC(NC(=O)c2ccc(OC4CCCC4)nc2)CC3)CC1.
What is the InChIKey of 6-cyclopentyloxy-N-[8-(4-methylpiperazin-1-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]pyridine-3-carboxamide?
The InChIKey is PGITXGWCMKNEKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N4O2/c1-29-13-15-30(16-14-29)24-8-4-5-19-9-11-21(17-23(19)24)28-26(31)20-10-12-25(27-18-20)32-22-6-2-3-7-22/h4-5,8,10,12,18,21-22H,2-3,6-7,9,11,13-17H2,1H3,(H,28,31).
What are the key properties of 6-cyclopentyloxy-N-[8-(4-methylpiperazin-1-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]pyridine-3-carboxamide?
6-cyclopentyloxy-N-[8-(4-methylpiperazin-1-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]pyridine-3-carboxamide has a molecular weight of 434.58 g/mol, XLogP of 3.44, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopentyloxy-N-[8-(4-methylpiperazin-1-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]pyridine-3-carboxamide is sourced from PubChem (CID 74421931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).