1-[1-(cyclopropylmethyl)-6-oxopyridazin-4-yl]-N-(2-piperidin-1-ylethyl)pyrrolidine-3-carboxamide

C20H31N5O2 — CID 91909578

IUPAC1-[1-(cyclopropylmethyl)-6-oxopyridazin-4-yl]-N-(2-piperidin-1-ylethyl)pyrrolidine-3-carboxamide
SMILESO=C(NCCN1CCCCC1)C1CCN(c2cnn(CC3CC3)c(=O)c2)C1
InChIInChI=1S/C20H31N5O2/c26-19-12-18(13-22-25(19)14-16-4-5-16)24-10-6-17(15-24)20(27)21-7-11-23-8-2-1-3-9-23/h12-13,16-17H,1-11,14-15H2,(H,21,27)
InChIKeyLIURADUEANHNMR-UHFFFAOYSA-N
MW373.50 g/mol
LogP1.08
Rot. Bonds7

About 1-[1-(cyclopropylmethyl)-6-oxopyridazin-4-yl]-N-(2-piperidin-1-ylethyl)pyrrolidine-3-carboxamide

1-[1-(cyclopropylmethyl)-6-oxopyridazin-4-yl]-N-(2-piperidin-1-ylethyl)pyrrolidine-3-carboxamide (PubChem CID 91909578) has the molecular formula C20H31N5O2 and a molecular weight of 373.50 g/mol. Its IUPAC name is 1-[1-(cyclopropylmethyl)-6-oxopyridazin-4-yl]-N-(2-piperidin-1-ylethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-[1-(cyclopropylmethyl)-6-oxopyridazin-4-yl]-N-(2-piperidin-1-ylethyl)pyrrolidine-3-carboxamide
PubChem CID91909578
Molecular FormulaC20H31N5O2
Molecular Weight373.50 g/mol
Exact Mass373.25
IUPAC Name1-[1-(cyclopropylmethyl)-6-oxopyridazin-4-yl]-N-(2-piperidin-1-ylethyl)pyrrolidine-3-carboxamide
SMILESO=C(NCCN1CCCCC1)C1CCN(c2cnn(CC3CC3)c(=O)c2)C1
InChIInChI=1S/C20H31N5O2/c26-19-12-18(13-22-25(19)14-16-4-5-16)24-10-6-17(15-24)20(27)21-7-11-23-8-2-1-3-9-23/h12-13,16-17H,1-11,14-15H2,(H,21,27)
InChIKeyLIURADUEANHNMR-UHFFFAOYSA-N
XLogP1.08
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.50
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(cyclopropylmethyl)-6-oxopyridazin-4-yl]-N-(2-piperidin-1-ylethyl)pyrrolidine-3-carboxamide?
The IUPAC name of 1-[1-(cyclopropylmethyl)-6-oxopyridazin-4-yl]-N-(2-piperidin-1-ylethyl)pyrrolidine-3-carboxamide (CID 91909578) is 1-[1-(cyclopropylmethyl)-6-oxopyridazin-4-yl]-N-(2-piperidin-1-ylethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for 1-[1-(cyclopropylmethyl)-6-oxopyridazin-4-yl]-N-(2-piperidin-1-ylethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for 1-[1-(cyclopropylmethyl)-6-oxopyridazin-4-yl]-N-(2-piperidin-1-ylethyl)pyrrolidine-3-carboxamide is O=C(NCCN1CCCCC1)C1CCN(c2cnn(CC3CC3)c(=O)c2)C1.
What is the InChIKey of 1-[1-(cyclopropylmethyl)-6-oxopyridazin-4-yl]-N-(2-piperidin-1-ylethyl)pyrrolidine-3-carboxamide?
The InChIKey is LIURADUEANHNMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N5O2/c26-19-12-18(13-22-25(19)14-16-4-5-16)24-10-6-17(15-24)20(27)21-7-11-23-8-2-1-3-9-23/h12-13,16-17H,1-11,14-15H2,(H,21,27).
What are the key properties of 1-[1-(cyclopropylmethyl)-6-oxopyridazin-4-yl]-N-(2-piperidin-1-ylethyl)pyrrolidine-3-carboxamide?
1-[1-(cyclopropylmethyl)-6-oxopyridazin-4-yl]-N-(2-piperidin-1-ylethyl)pyrrolidine-3-carboxamide has a molecular weight of 373.50 g/mol, XLogP of 1.08, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(cyclopropylmethyl)-6-oxopyridazin-4-yl]-N-(2-piperidin-1-ylethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 91909578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).