N-(4-chlorophenyl)-4-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]piperazine-1-carboxamide

C21H27ClN6O — CID 122336002

IUPACN-(4-chlorophenyl)-4-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]piperazine-1-carboxamide
SMILESCC1CCN(c2ccc(N3CCN(C(=O)Nc4ccc(Cl)cc4)CC3)nn2)CC1
InChIInChI=1S/C21H27ClN6O/c1-16-8-10-26(11-9-16)19-6-7-20(25-24-19)27-12-14-28(15-13-27)21(29)23-18-4-2-17(22)3-5-18/h2-7,16H,8-15H2,1H3,(H,23,29)
InChIKeyPRCOBEZQZGOEAC-UHFFFAOYSA-N
MW414.94 g/mol
LogP3.72
Rot. Bonds3

About N-(4-chlorophenyl)-4-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]piperazine-1-carboxamide

N-(4-chlorophenyl)-4-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]piperazine-1-carboxamide (PubChem CID 122336002) has the molecular formula C21H27ClN6O and a molecular weight of 414.94 g/mol. Its IUPAC name is N-(4-chlorophenyl)-4-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-4-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]piperazine-1-carboxamide
PubChem CID122336002
Molecular FormulaC21H27ClN6O
Molecular Weight414.94 g/mol
Exact Mass414.19
IUPAC NameN-(4-chlorophenyl)-4-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]piperazine-1-carboxamide
SMILESCC1CCN(c2ccc(N3CCN(C(=O)Nc4ccc(Cl)cc4)CC3)nn2)CC1
InChIInChI=1S/C21H27ClN6O/c1-16-8-10-26(11-9-16)19-6-7-20(25-24-19)27-12-14-28(15-13-27)21(29)23-18-4-2-17(22)3-5-18/h2-7,16H,8-15H2,1H3,(H,23,29)
InChIKeyPRCOBEZQZGOEAC-UHFFFAOYSA-N
XLogP3.72
TPSA64.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.94
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-chlorophenyl)-4-(6-pyrrol-1-ylpyridazin-3-yl)piperazine-1-carboxamide
CID 122341455
N-(4-chlorophenyl)-4-[6-(diethylamino)pyridazin-3-yl]piperazine-1-carboxamide
CID 122335421
N-(4-chlorophenyl)-4-(6-chloro-2-pyridinyl)piperazine-1-carboxamide
CID 3787929
N-(4-methylphenyl)-4-(6-pyrrolidin-1-ylpyridazin-3-yl)piperazine-1-carboxamide
CID 122334278
N-(2,4-dimethylphenyl)-4-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]piperazine-1-carboxamide
CID 122336021
N-(4-chlorophenyl)-4-[6-[(6-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazine-1-carboxamide
CID 50947917
4-[6-(azepan-1-yl)pyridazin-3-yl]-N-(4-methylphenyl)piperazine-1-carboxamide
CID 122334859
N-(4-methylphenyl)-6-(4-methylpiperidin-1-yl)pyridazine-3-carboxamide
CID 109113214
N-(4-ethylphenyl)-4-(6-pyrrolidin-1-ylpyridazin-3-yl)piperazine-1-carboxamide
CID 122334280
N-[4-(4-methylpiperidin-1-yl)phenyl]pyrrolidine-1-carboxamide
CID 108987878
N-(4-chlorophenyl)-4-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-1,4-diazepane-1-carboxamide
CID 134801310
N-(4-chlorophenyl)-4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazine-1-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-4-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]piperazine-1-carboxamide?
The IUPAC name of N-(4-chlorophenyl)-4-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]piperazine-1-carboxamide (CID 122336002) is N-(4-chlorophenyl)-4-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]piperazine-1-carboxamide.
What is the SMILES notation for N-(4-chlorophenyl)-4-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]piperazine-1-carboxamide?
The canonical SMILES for N-(4-chlorophenyl)-4-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]piperazine-1-carboxamide is CC1CCN(c2ccc(N3CCN(C(=O)Nc4ccc(Cl)cc4)CC3)nn2)CC1.
What is the InChIKey of N-(4-chlorophenyl)-4-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]piperazine-1-carboxamide?
The InChIKey is PRCOBEZQZGOEAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27ClN6O/c1-16-8-10-26(11-9-16)19-6-7-20(25-24-19)27-12-14-28(15-13-27)21(29)23-18-4-2-17(22)3-5-18/h2-7,16H,8-15H2,1H3,(H,23,29).
What are the key properties of N-(4-chlorophenyl)-4-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]piperazine-1-carboxamide?
N-(4-chlorophenyl)-4-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]piperazine-1-carboxamide has a molecular weight of 414.94 g/mol, XLogP of 3.72, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-4-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]piperazine-1-carboxamide is sourced from PubChem (CID 122336002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).