N-(2-cyclopropylethyl)-6-[4-[2-(dimethylamino)benzoyl]piperazin-1-yl]pyridazine-3-carboxamide

C23H30N6O2 — CID 11339214

IUPACN-(2-cyclopropylethyl)-6-[4-[2-(dimethylamino)benzoyl]piperazin-1-yl]pyridazine-3-carboxamide
SMILESCN(C)c1ccccc1C(=O)N1CCN(c2ccc(C(=O)NCCC3CC3)nn2)CC1
InChIInChI=1S/C23H30N6O2/c1-27(2)20-6-4-3-5-18(20)23(31)29-15-13-28(14-16-29)21-10-9-19(25-26-21)22(30)24-12-11-17-7-8-17/h3-6,9-10,17H,7-8,11-16H2,1-2H3,(H,24,30)
InChIKeyYIOLCQFUHDXWJC-UHFFFAOYSA-N
MW422.53 g/mol
LogP2.03
Rot. Bonds7

About N-(2-cyclopropylethyl)-6-[4-[2-(dimethylamino)benzoyl]piperazin-1-yl]pyridazine-3-carboxamide

N-(2-cyclopropylethyl)-6-[4-[2-(dimethylamino)benzoyl]piperazin-1-yl]pyridazine-3-carboxamide (PubChem CID 11339214) has the molecular formula C23H30N6O2 and a molecular weight of 422.53 g/mol. Its IUPAC name is N-(2-cyclopropylethyl)-6-[4-[2-(dimethylamino)benzoyl]piperazin-1-yl]pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(2-cyclopropylethyl)-6-[4-[2-(dimethylamino)benzoyl]piperazin-1-yl]pyridazine-3-carboxamide
PubChem CID11339214
Molecular FormulaC23H30N6O2
Molecular Weight422.53 g/mol
Exact Mass422.24
IUPAC NameN-(2-cyclopropylethyl)-6-[4-[2-(dimethylamino)benzoyl]piperazin-1-yl]pyridazine-3-carboxamide
SMILESCN(C)c1ccccc1C(=O)N1CCN(c2ccc(C(=O)NCCC3CC3)nn2)CC1
InChIInChI=1S/C23H30N6O2/c1-27(2)20-6-4-3-5-18(20)23(31)29-15-13-28(14-16-29)21-10-9-19(25-26-21)22(30)24-12-11-17-7-8-17/h3-6,9-10,17H,7-8,11-16H2,1-2H3,(H,24,30)
InChIKeyYIOLCQFUHDXWJC-UHFFFAOYSA-N
XLogP2.03
TPSA81.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.53
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopropylethyl)-6-[4-[2-(dimethylamino)benzoyl]piperazin-1-yl]pyridazine-3-carboxamide?
The IUPAC name of N-(2-cyclopropylethyl)-6-[4-[2-(dimethylamino)benzoyl]piperazin-1-yl]pyridazine-3-carboxamide (CID 11339214) is N-(2-cyclopropylethyl)-6-[4-[2-(dimethylamino)benzoyl]piperazin-1-yl]pyridazine-3-carboxamide.
What is the SMILES notation for N-(2-cyclopropylethyl)-6-[4-[2-(dimethylamino)benzoyl]piperazin-1-yl]pyridazine-3-carboxamide?
The canonical SMILES for N-(2-cyclopropylethyl)-6-[4-[2-(dimethylamino)benzoyl]piperazin-1-yl]pyridazine-3-carboxamide is CN(C)c1ccccc1C(=O)N1CCN(c2ccc(C(=O)NCCC3CC3)nn2)CC1.
What is the InChIKey of N-(2-cyclopropylethyl)-6-[4-[2-(dimethylamino)benzoyl]piperazin-1-yl]pyridazine-3-carboxamide?
The InChIKey is YIOLCQFUHDXWJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N6O2/c1-27(2)20-6-4-3-5-18(20)23(31)29-15-13-28(14-16-29)21-10-9-19(25-26-21)22(30)24-12-11-17-7-8-17/h3-6,9-10,17H,7-8,11-16H2,1-2H3,(H,24,30).
What are the key properties of N-(2-cyclopropylethyl)-6-[4-[2-(dimethylamino)benzoyl]piperazin-1-yl]pyridazine-3-carboxamide?
N-(2-cyclopropylethyl)-6-[4-[2-(dimethylamino)benzoyl]piperazin-1-yl]pyridazine-3-carboxamide has a molecular weight of 422.53 g/mol, XLogP of 2.03, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopropylethyl)-6-[4-[2-(dimethylamino)benzoyl]piperazin-1-yl]pyridazine-3-carboxamide is sourced from PubChem (CID 11339214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).