(3S)-N-cyclopentyl-1-[1-(cyclopropylmethyl)-6-oxopyridazin-4-yl]pyrrolidine-3-carboxamide

C18H26N4O2 — CID 164631857

IUPAC(3S)-N-cyclopentyl-1-[1-(cyclopropylmethyl)-6-oxopyridazin-4-yl]pyrrolidine-3-carboxamide
SMILESO=C(NC1CCCC1)[C@H]1CCN(c2cnn(CC3CC3)c(=O)c2)C1
InChIInChI=1S/C18H26N4O2/c23-17-9-16(10-19-22(17)11-13-5-6-13)21-8-7-14(12-21)18(24)20-15-3-1-2-4-15/h9-10,13-15H,1-8,11-12H2,(H,20,24)/t14-/m0/s1
InChIKeyRKEBUQSYSCYXHG-AWEZNQCLSA-N
MW330.43 g/mol
LogP1.54
Rot. Bonds5

About (3S)-N-cyclopentyl-1-[1-(cyclopropylmethyl)-6-oxopyridazin-4-yl]pyrrolidine-3-carboxamide

(3S)-N-cyclopentyl-1-[1-(cyclopropylmethyl)-6-oxopyridazin-4-yl]pyrrolidine-3-carboxamide (PubChem CID 164631857) has the molecular formula C18H26N4O2 and a molecular weight of 330.43 g/mol. Its IUPAC name is (3S)-N-cyclopentyl-1-[1-(cyclopropylmethyl)-6-oxopyridazin-4-yl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-cyclopentyl-1-[1-(cyclopropylmethyl)-6-oxopyridazin-4-yl]pyrrolidine-3-carboxamide
PubChem CID164631857
Molecular FormulaC18H26N4O2
Molecular Weight330.43 g/mol
Exact Mass330.21
IUPAC Name(3S)-N-cyclopentyl-1-[1-(cyclopropylmethyl)-6-oxopyridazin-4-yl]pyrrolidine-3-carboxamide
SMILESO=C(NC1CCCC1)[C@H]1CCN(c2cnn(CC3CC3)c(=O)c2)C1
InChIInChI=1S/C18H26N4O2/c23-17-9-16(10-19-22(17)11-13-5-6-13)21-8-7-14(12-21)18(24)20-15-3-1-2-4-15/h9-10,13-15H,1-8,11-12H2,(H,20,24)/t14-/m0/s1
InChIKeyRKEBUQSYSCYXHG-AWEZNQCLSA-N
XLogP1.54
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3S)-N-cyclopentyl-1-[1-(cyclopropylmethyl)-6-oxopyridazin-4-yl]pyrrolidine-3-carboxamide?
The IUPAC name of (3S)-N-cyclopentyl-1-[1-(cyclopropylmethyl)-6-oxopyridazin-4-yl]pyrrolidine-3-carboxamide (CID 164631857) is (3S)-N-cyclopentyl-1-[1-(cyclopropylmethyl)-6-oxopyridazin-4-yl]pyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-N-cyclopentyl-1-[1-(cyclopropylmethyl)-6-oxopyridazin-4-yl]pyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-N-cyclopentyl-1-[1-(cyclopropylmethyl)-6-oxopyridazin-4-yl]pyrrolidine-3-carboxamide is O=C(NC1CCCC1)[C@H]1CCN(c2cnn(CC3CC3)c(=O)c2)C1.
What is the InChIKey of (3S)-N-cyclopentyl-1-[1-(cyclopropylmethyl)-6-oxopyridazin-4-yl]pyrrolidine-3-carboxamide?
The InChIKey is RKEBUQSYSCYXHG-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H26N4O2/c23-17-9-16(10-19-22(17)11-13-5-6-13)21-8-7-14(12-21)18(24)20-15-3-1-2-4-15/h9-10,13-15H,1-8,11-12H2,(H,20,24)/t14-/m0/s1.
What are the key properties of (3S)-N-cyclopentyl-1-[1-(cyclopropylmethyl)-6-oxopyridazin-4-yl]pyrrolidine-3-carboxamide?
(3S)-N-cyclopentyl-1-[1-(cyclopropylmethyl)-6-oxopyridazin-4-yl]pyrrolidine-3-carboxamide has a molecular weight of 330.43 g/mol, XLogP of 1.54, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-cyclopentyl-1-[1-(cyclopropylmethyl)-6-oxopyridazin-4-yl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 164631857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).