N-(2-propan-2-ylphenyl)-6-pyrrolidin-1-ylpyridazine-3-carboxamide

C18H22N4O — CID 71778517

IUPACN-(2-propan-2-ylphenyl)-6-pyrrolidin-1-ylpyridazine-3-carboxamide
SMILESCC(C)c1ccccc1NC(=O)c1ccc(N2CCCC2)nn1
InChIInChI=1S/C18H22N4O/c1-13(2)14-7-3-4-8-15(14)19-18(23)16-9-10-17(21-20-16)22-11-5-6-12-22/h3-4,7-10,13H,5-6,11-12H2,1-2H3,(H,19,23)
InChIKeyCDVARXAFMISXGW-UHFFFAOYSA-N
MW310.40 g/mol
LogP3.45
Rot. Bonds4

About N-(2-propan-2-ylphenyl)-6-pyrrolidin-1-ylpyridazine-3-carboxamide

N-(2-propan-2-ylphenyl)-6-pyrrolidin-1-ylpyridazine-3-carboxamide (PubChem CID 71778517) has the molecular formula C18H22N4O and a molecular weight of 310.40 g/mol. Its IUPAC name is N-(2-propan-2-ylphenyl)-6-pyrrolidin-1-ylpyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(2-propan-2-ylphenyl)-6-pyrrolidin-1-ylpyridazine-3-carboxamide
PubChem CID71778517
Molecular FormulaC18H22N4O
Molecular Weight310.40 g/mol
Exact Mass310.18
IUPAC NameN-(2-propan-2-ylphenyl)-6-pyrrolidin-1-ylpyridazine-3-carboxamide
SMILESCC(C)c1ccccc1NC(=O)c1ccc(N2CCCC2)nn1
InChIInChI=1S/C18H22N4O/c1-13(2)14-7-3-4-8-15(14)19-18(23)16-9-10-17(21-20-16)22-11-5-6-12-22/h3-4,7-10,13H,5-6,11-12H2,1-2H3,(H,19,23)
InChIKeyCDVARXAFMISXGW-UHFFFAOYSA-N
XLogP3.45
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-propan-2-ylphenyl)-6-pyrrolidin-1-ylpyridazine-3-carboxamide?
The IUPAC name of N-(2-propan-2-ylphenyl)-6-pyrrolidin-1-ylpyridazine-3-carboxamide (CID 71778517) is N-(2-propan-2-ylphenyl)-6-pyrrolidin-1-ylpyridazine-3-carboxamide.
What is the SMILES notation for N-(2-propan-2-ylphenyl)-6-pyrrolidin-1-ylpyridazine-3-carboxamide?
The canonical SMILES for N-(2-propan-2-ylphenyl)-6-pyrrolidin-1-ylpyridazine-3-carboxamide is CC(C)c1ccccc1NC(=O)c1ccc(N2CCCC2)nn1.
What is the InChIKey of N-(2-propan-2-ylphenyl)-6-pyrrolidin-1-ylpyridazine-3-carboxamide?
The InChIKey is CDVARXAFMISXGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O/c1-13(2)14-7-3-4-8-15(14)19-18(23)16-9-10-17(21-20-16)22-11-5-6-12-22/h3-4,7-10,13H,5-6,11-12H2,1-2H3,(H,19,23).
What are the key properties of N-(2-propan-2-ylphenyl)-6-pyrrolidin-1-ylpyridazine-3-carboxamide?
N-(2-propan-2-ylphenyl)-6-pyrrolidin-1-ylpyridazine-3-carboxamide has a molecular weight of 310.40 g/mol, XLogP of 3.45, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-propan-2-ylphenyl)-6-pyrrolidin-1-ylpyridazine-3-carboxamide is sourced from PubChem (CID 71778517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).