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

C19H29N5O2 — CID 91920243

IUPAC1-[1-(cyclopropylmethyl)-6-oxopyridazin-4-yl]-N-(2-pyrrolidin-1-ylethyl)pyrrolidine-3-carboxamide
SMILESO=C(NCCN1CCCC1)C1CCN(c2cnn(CC3CC3)c(=O)c2)C1
InChIInChI=1S/C19H29N5O2/c25-18-11-17(12-21-24(18)13-15-3-4-15)23-9-5-16(14-23)19(26)20-6-10-22-7-1-2-8-22/h11-12,15-16H,1-10,13-14H2,(H,20,26)
InChIKeyZHTGINRFYCLCFM-UHFFFAOYSA-N
MW359.47 g/mol
LogP0.69
Rot. Bonds7

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

1-[1-(cyclopropylmethyl)-6-oxopyridazin-4-yl]-N-(2-pyrrolidin-1-ylethyl)pyrrolidine-3-carboxamide (PubChem CID 91920243) has the molecular formula C19H29N5O2 and a molecular weight of 359.47 g/mol. Its IUPAC name is 1-[1-(cyclopropylmethyl)-6-oxopyridazin-4-yl]-N-(2-pyrrolidin-1-ylethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-[1-(cyclopropylmethyl)-6-oxopyridazin-4-yl]-N-(2-pyrrolidin-1-ylethyl)pyrrolidine-3-carboxamide
PubChem CID91920243
Molecular FormulaC19H29N5O2
Molecular Weight359.47 g/mol
Exact Mass359.23
IUPAC Name1-[1-(cyclopropylmethyl)-6-oxopyridazin-4-yl]-N-(2-pyrrolidin-1-ylethyl)pyrrolidine-3-carboxamide
SMILESO=C(NCCN1CCCC1)C1CCN(c2cnn(CC3CC3)c(=O)c2)C1
InChIInChI=1S/C19H29N5O2/c25-18-11-17(12-21-24(18)13-15-3-4-15)23-9-5-16(14-23)19(26)20-6-10-22-7-1-2-8-22/h11-12,15-16H,1-10,13-14H2,(H,20,26)
InChIKeyZHTGINRFYCLCFM-UHFFFAOYSA-N
XLogP0.69
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 50.69
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-pyrrolidin-1-ylethyl)pyrrolidine-3-carboxamide?
The IUPAC name of 1-[1-(cyclopropylmethyl)-6-oxopyridazin-4-yl]-N-(2-pyrrolidin-1-ylethyl)pyrrolidine-3-carboxamide (CID 91920243) is 1-[1-(cyclopropylmethyl)-6-oxopyridazin-4-yl]-N-(2-pyrrolidin-1-ylethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for 1-[1-(cyclopropylmethyl)-6-oxopyridazin-4-yl]-N-(2-pyrrolidin-1-ylethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for 1-[1-(cyclopropylmethyl)-6-oxopyridazin-4-yl]-N-(2-pyrrolidin-1-ylethyl)pyrrolidine-3-carboxamide is O=C(NCCN1CCCC1)C1CCN(c2cnn(CC3CC3)c(=O)c2)C1.
What is the InChIKey of 1-[1-(cyclopropylmethyl)-6-oxopyridazin-4-yl]-N-(2-pyrrolidin-1-ylethyl)pyrrolidine-3-carboxamide?
The InChIKey is ZHTGINRFYCLCFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N5O2/c25-18-11-17(12-21-24(18)13-15-3-4-15)23-9-5-16(14-23)19(26)20-6-10-22-7-1-2-8-22/h11-12,15-16H,1-10,13-14H2,(H,20,26).
What are the key properties of 1-[1-(cyclopropylmethyl)-6-oxopyridazin-4-yl]-N-(2-pyrrolidin-1-ylethyl)pyrrolidine-3-carboxamide?
1-[1-(cyclopropylmethyl)-6-oxopyridazin-4-yl]-N-(2-pyrrolidin-1-ylethyl)pyrrolidine-3-carboxamide has a molecular weight of 359.47 g/mol, XLogP of 0.69, 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-pyrrolidin-1-ylethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 91920243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).