N-(3-chloro-4-methylphenyl)-4-[5-(dimethylamino)pyridazin-3-yl]piperazine-1-carboxamide

C18H23ClN6O — CID 71807500

IUPACN-(3-chloro-4-methylphenyl)-4-[5-(dimethylamino)pyridazin-3-yl]piperazine-1-carboxamide
SMILESCc1ccc(NC(=O)N2CCN(c3cc(N(C)C)cnn3)CC2)cc1Cl
InChIInChI=1S/C18H23ClN6O/c1-13-4-5-14(10-16(13)19)21-18(26)25-8-6-24(7-9-25)17-11-15(23(2)3)12-20-22-17/h4-5,10-12H,6-9H2,1-3H3,(H,21,26)
InChIKeyLFSOMIUKRMBMKR-UHFFFAOYSA-N
MW374.88 g/mol
LogP2.86
Rot. Bonds3

About N-(3-chloro-4-methylphenyl)-4-[5-(dimethylamino)pyridazin-3-yl]piperazine-1-carboxamide

N-(3-chloro-4-methylphenyl)-4-[5-(dimethylamino)pyridazin-3-yl]piperazine-1-carboxamide (PubChem CID 71807500) has the molecular formula C18H23ClN6O and a molecular weight of 374.88 g/mol. Its IUPAC name is N-(3-chloro-4-methylphenyl)-4-[5-(dimethylamino)pyridazin-3-yl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-methylphenyl)-4-[5-(dimethylamino)pyridazin-3-yl]piperazine-1-carboxamide
PubChem CID71807500
Molecular FormulaC18H23ClN6O
Molecular Weight374.88 g/mol
Exact Mass374.16
IUPAC NameN-(3-chloro-4-methylphenyl)-4-[5-(dimethylamino)pyridazin-3-yl]piperazine-1-carboxamide
SMILESCc1ccc(NC(=O)N2CCN(c3cc(N(C)C)cnn3)CC2)cc1Cl
InChIInChI=1S/C18H23ClN6O/c1-13-4-5-14(10-16(13)19)21-18(26)25-8-6-24(7-9-25)17-11-15(23(2)3)12-20-22-17/h4-5,10-12H,6-9H2,1-3H3,(H,21,26)
InChIKeyLFSOMIUKRMBMKR-UHFFFAOYSA-N
XLogP2.86
TPSA64.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.88
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(6-Chloro-pyridazin-3-yl)-piperazine-1-carboxylic acid (4-isopropyl-phenyl)-amide
CID 44395965
4-(4-Methyl-pyridazin-3-yl)-piperazine-1-carboxylic acid (4-tert-butyl-phenyl)-amide
CID 9906556
4-(6-Chloro-4-methyl-pyridazin-3-yl)-piperazine-1-carboxylic acid (4-tert-butyl-phenyl)-amide
CID 44396145
4-(5-Methyl-pyridazin-3-yl)-piperazine-1-carboxylic acid (4-tert-butyl-phenyl)-amide
CID 44396146
(2R)-N-(4-tert-butylphenyl)-2-methyl-4-(4-methylpyridazin-3-yl)piperazine-1-carboxamide
CID 44395937
4-(4-Methyl-pyridazin-3-yl)-piperazine-1-carboxylic acid biphenyl-4-ylamide
CID 44395992
(2R)-N-(4-tert-butylphenyl)-4-(6-chloro-4-methylpyridazin-3-yl)-2-methylpiperazine-1-carboxamide
CID 44396026
4-(4-Methyl-pyridazin-3-yl)-piperazine-1-carboxylic acid (4-isopropyl-phenyl)-amide
CID 44396060
(2R)-2-methyl-4-(4-methylpyridazin-3-yl)-N-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 44396083
4-Pyridazin-3-yl-piperazine-1-carboxylic acid (4-tert-butyl-phenyl)-amide
CID 44396112
4-(6-Chloro-4-methyl-pyridazin-3-yl)-piperazine-1-carboxylic acid (4-trifluoromethyl-phenyl)-amide
CID 44395836
4-(5-Methyl-pyridazin-3-yl)-piperazine-1-carboxylic acid (4-trifluoromethyl-phenyl)-amide
CID 44395837

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methylphenyl)-4-[5-(dimethylamino)pyridazin-3-yl]piperazine-1-carboxamide?
The IUPAC name of N-(3-chloro-4-methylphenyl)-4-[5-(dimethylamino)pyridazin-3-yl]piperazine-1-carboxamide (CID 71807500) is N-(3-chloro-4-methylphenyl)-4-[5-(dimethylamino)pyridazin-3-yl]piperazine-1-carboxamide.
What is the SMILES notation for N-(3-chloro-4-methylphenyl)-4-[5-(dimethylamino)pyridazin-3-yl]piperazine-1-carboxamide?
The canonical SMILES for N-(3-chloro-4-methylphenyl)-4-[5-(dimethylamino)pyridazin-3-yl]piperazine-1-carboxamide is Cc1ccc(NC(=O)N2CCN(c3cc(N(C)C)cnn3)CC2)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methylphenyl)-4-[5-(dimethylamino)pyridazin-3-yl]piperazine-1-carboxamide?
The InChIKey is LFSOMIUKRMBMKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23ClN6O/c1-13-4-5-14(10-16(13)19)21-18(26)25-8-6-24(7-9-25)17-11-15(23(2)3)12-20-22-17/h4-5,10-12H,6-9H2,1-3H3,(H,21,26).
What are the key properties of N-(3-chloro-4-methylphenyl)-4-[5-(dimethylamino)pyridazin-3-yl]piperazine-1-carboxamide?
N-(3-chloro-4-methylphenyl)-4-[5-(dimethylamino)pyridazin-3-yl]piperazine-1-carboxamide has a molecular weight of 374.88 g/mol, XLogP of 2.86, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methylphenyl)-4-[5-(dimethylamino)pyridazin-3-yl]piperazine-1-carboxamide is sourced from PubChem (CID 71807500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).