1-[(3-chloro-4-methylphenyl)methyl]-3-methylurea;3-piperidin-1-ylpyridazine

C19H26ClN5O — CID 165119858

IUPAC1-[(3-chloro-4-methylphenyl)methyl]-3-methylurea;3-piperidin-1-ylpyridazine
SMILESCNC(=O)NCc1ccc(C)c(Cl)c1.c1cnnc(N2CCCCC2)c1
InChIInChI=1S/C10H13ClN2O.C9H13N3/c1-7-3-4-8(5-9(7)11)6-13-10(14)12-2;1-2-7-12(8-3-1)9-5-4-6-10-11-9/h3-5H,6H2,1-2H3,(H2,12,13,14);4-6H,1-3,7-8H2
InChIKeyBIXNZPGDLDZWAP-UHFFFAOYSA-N
MW375.90 g/mol
LogP3.54
Rot. Bonds3

About 1-[(3-chloro-4-methylphenyl)methyl]-3-methylurea;3-piperidin-1-ylpyridazine

1-[(3-chloro-4-methylphenyl)methyl]-3-methylurea;3-piperidin-1-ylpyridazine (PubChem CID 165119858) has the molecular formula C19H26ClN5O and a molecular weight of 375.90 g/mol. Its IUPAC name is 1-[(3-chloro-4-methylphenyl)methyl]-3-methylurea;3-piperidin-1-ylpyridazine.

Molecular Properties

Compound Name1-[(3-chloro-4-methylphenyl)methyl]-3-methylurea;3-piperidin-1-ylpyridazine
PubChem CID165119858
Molecular FormulaC19H26ClN5O
Molecular Weight375.90 g/mol
Exact Mass375.18
IUPAC Name1-[(3-chloro-4-methylphenyl)methyl]-3-methylurea;3-piperidin-1-ylpyridazine
SMILESCNC(=O)NCc1ccc(C)c(Cl)c1.c1cnnc(N2CCCCC2)c1
InChIInChI=1S/C10H13ClN2O.C9H13N3/c1-7-3-4-8(5-9(7)11)6-13-10(14)12-2;1-2-7-12(8-3-1)9-5-4-6-10-11-9/h3-5H,6H2,1-2H3,(H2,12,13,14);4-6H,1-3,7-8H2
InChIKeyBIXNZPGDLDZWAP-UHFFFAOYSA-N
XLogP3.54
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.90
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-3-[(3-methylphenyl)methyl]urea;molecular hydrogen;3-piperidin-1-ylpyridazine
CID 165119475
1-methyl-3-(naphthalen-2-ylmethyl)urea;molecular hydrogen;3-piperidin-1-ylpyridazine
CID 165119785
1-(3,4-dihydro-2H-chromen-6-ylmethyl)-3-methylurea;molecular hydrogen;3-piperidin-1-ylpyridazine
CID 165119551
1-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-3-methylurea;molecular hydrogen;3-piperidin-1-ylpyridazine
CID 165119621
1-[(4-chloro-3-methylphenyl)methyl]-3-methylurea;2-piperidin-1-ylpyrazine
CID 165120065
1-[(2-fluoro-5-methoxyphenyl)methyl]-3-methylurea;molecular hydrogen;3-piperidin-1-ylpyridazine
CID 165119693
1-[2-(2,4-dichlorophenyl)cyclopropyl]-3-methylurea;3-piperidin-1-ylpyridazine
CID 165119967
3-[(3,4-dimethylphenyl)methyl]-1-methyl-1-(1-pyridazin-3-ylpiperidin-3-yl)urea
CID 174344195
1-[(4-chloro-3-methylphenyl)methyl]-3-methylurea
CID 131998616
3-[(3,4-difluorophenyl)methyl]-1-methyl-1-[(3R)-1-pyridazin-3-ylpiperidin-3-yl]urea
CID 165119679
1-[(3-chloro-4-fluorophenyl)methyl]-3-methylurea
CID 115603858
N-methyl-1-pyridazin-3-ylpiperidine-3-carboxamide
CID 110269425

Frequently Asked Questions

What is the IUPAC name of 1-[(3-chloro-4-methylphenyl)methyl]-3-methylurea;3-piperidin-1-ylpyridazine?
The IUPAC name of 1-[(3-chloro-4-methylphenyl)methyl]-3-methylurea;3-piperidin-1-ylpyridazine (CID 165119858) is 1-[(3-chloro-4-methylphenyl)methyl]-3-methylurea;3-piperidin-1-ylpyridazine.
What is the SMILES notation for 1-[(3-chloro-4-methylphenyl)methyl]-3-methylurea;3-piperidin-1-ylpyridazine?
The canonical SMILES for 1-[(3-chloro-4-methylphenyl)methyl]-3-methylurea;3-piperidin-1-ylpyridazine is CNC(=O)NCc1ccc(C)c(Cl)c1.c1cnnc(N2CCCCC2)c1.
What is the InChIKey of 1-[(3-chloro-4-methylphenyl)methyl]-3-methylurea;3-piperidin-1-ylpyridazine?
The InChIKey is BIXNZPGDLDZWAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN2O.C9H13N3/c1-7-3-4-8(5-9(7)11)6-13-10(14)12-2;1-2-7-12(8-3-1)9-5-4-6-10-11-9/h3-5H,6H2,1-2H3,(H2,12,13,14);4-6H,1-3,7-8H2.
What are the key properties of 1-[(3-chloro-4-methylphenyl)methyl]-3-methylurea;3-piperidin-1-ylpyridazine?
1-[(3-chloro-4-methylphenyl)methyl]-3-methylurea;3-piperidin-1-ylpyridazine has a molecular weight of 375.90 g/mol, XLogP of 3.54, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-chloro-4-methylphenyl)methyl]-3-methylurea;3-piperidin-1-ylpyridazine is sourced from PubChem (CID 165119858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).