N-[4-[1-(2-cyclopentylacetyl)piperidin-4-yl]phenyl]-1-pyridazin-4-ylpyrrolidine-3-carboxamide

C27H35N5O2 — CID 140621400

IUPACN-[4-[1-(2-cyclopentylacetyl)piperidin-4-yl]phenyl]-1-pyridazin-4-ylpyrrolidine-3-carboxamide
SMILESO=C(Nc1ccc(C2CCN(C(=O)CC3CCCC3)CC2)cc1)C1CCN(c2ccnnc2)C1
InChIInChI=1S/C27H35N5O2/c33-26(17-20-3-1-2-4-20)31-14-10-22(11-15-31)21-5-7-24(8-6-21)30-27(34)23-12-16-32(19-23)25-9-13-28-29-18-25/h5-9,13,18,20,22-23H,1-4,10-12,14-17,19H2,(H,30,34)
InChIKeyHVZNKRRQUFCPIB-UHFFFAOYSA-N
MW461.61 g/mol
LogP4.23
Rot. Bonds6

About N-[4-[1-(2-cyclopentylacetyl)piperidin-4-yl]phenyl]-1-pyridazin-4-ylpyrrolidine-3-carboxamide

N-[4-[1-(2-cyclopentylacetyl)piperidin-4-yl]phenyl]-1-pyridazin-4-ylpyrrolidine-3-carboxamide (PubChem CID 140621400) has the molecular formula C27H35N5O2 and a molecular weight of 461.61 g/mol. Its IUPAC name is N-[4-[1-(2-cyclopentylacetyl)piperidin-4-yl]phenyl]-1-pyridazin-4-ylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[4-[1-(2-cyclopentylacetyl)piperidin-4-yl]phenyl]-1-pyridazin-4-ylpyrrolidine-3-carboxamide
PubChem CID140621400
Molecular FormulaC27H35N5O2
Molecular Weight461.61 g/mol
Exact Mass461.28
IUPAC NameN-[4-[1-(2-cyclopentylacetyl)piperidin-4-yl]phenyl]-1-pyridazin-4-ylpyrrolidine-3-carboxamide
SMILESO=C(Nc1ccc(C2CCN(C(=O)CC3CCCC3)CC2)cc1)C1CCN(c2ccnnc2)C1
InChIInChI=1S/C27H35N5O2/c33-26(17-20-3-1-2-4-20)31-14-10-22(11-15-31)21-5-7-24(8-6-21)30-27(34)23-12-16-32(19-23)25-9-13-28-29-18-25/h5-9,13,18,20,22-23H,1-4,10-12,14-17,19H2,(H,30,34)
InChIKeyHVZNKRRQUFCPIB-UHFFFAOYSA-N
XLogP4.23
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.61
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-[1-(2-cyclopentylacetyl)piperidin-4-yl]phenyl]-1-pyridazin-4-ylpyrrolidine-3-carboxamide?
The IUPAC name of N-[4-[1-(2-cyclopentylacetyl)piperidin-4-yl]phenyl]-1-pyridazin-4-ylpyrrolidine-3-carboxamide (CID 140621400) is N-[4-[1-(2-cyclopentylacetyl)piperidin-4-yl]phenyl]-1-pyridazin-4-ylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-[4-[1-(2-cyclopentylacetyl)piperidin-4-yl]phenyl]-1-pyridazin-4-ylpyrrolidine-3-carboxamide?
The canonical SMILES for N-[4-[1-(2-cyclopentylacetyl)piperidin-4-yl]phenyl]-1-pyridazin-4-ylpyrrolidine-3-carboxamide is O=C(Nc1ccc(C2CCN(C(=O)CC3CCCC3)CC2)cc1)C1CCN(c2ccnnc2)C1.
What is the InChIKey of N-[4-[1-(2-cyclopentylacetyl)piperidin-4-yl]phenyl]-1-pyridazin-4-ylpyrrolidine-3-carboxamide?
The InChIKey is HVZNKRRQUFCPIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H35N5O2/c33-26(17-20-3-1-2-4-20)31-14-10-22(11-15-31)21-5-7-24(8-6-21)30-27(34)23-12-16-32(19-23)25-9-13-28-29-18-25/h5-9,13,18,20,22-23H,1-4,10-12,14-17,19H2,(H,30,34).
What are the key properties of N-[4-[1-(2-cyclopentylacetyl)piperidin-4-yl]phenyl]-1-pyridazin-4-ylpyrrolidine-3-carboxamide?
N-[4-[1-(2-cyclopentylacetyl)piperidin-4-yl]phenyl]-1-pyridazin-4-ylpyrrolidine-3-carboxamide has a molecular weight of 461.61 g/mol, XLogP of 4.23, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[1-(2-cyclopentylacetyl)piperidin-4-yl]phenyl]-1-pyridazin-4-ylpyrrolidine-3-carboxamide is sourced from PubChem (CID 140621400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).