cyclopropylmethyl N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]carbamate

C16H19N3O3 — CID 12805020

IUPACcyclopropylmethyl N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]carbamate
SMILESCC1CC(=O)NN=C1c1ccc(NC(=O)OCC2CC2)cc1
InChIInChI=1S/C16H19N3O3/c1-10-8-14(20)18-19-15(10)12-4-6-13(7-5-12)17-16(21)22-9-11-2-3-11/h4-7,10-11H,2-3,8-9H2,1H3,(H,17,21)(H,18,20)
InChIKeyAOQRXVFAPUGHCP-UHFFFAOYSA-N
MW301.35 g/mol
LogP2.51
Rot. Bonds4

About cyclopropylmethyl N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]carbamate

cyclopropylmethyl N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]carbamate (PubChem CID 12805020) has the molecular formula C16H19N3O3 and a molecular weight of 301.35 g/mol. Its IUPAC name is cyclopropylmethyl N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]carbamate.

Molecular Properties

Compound Namecyclopropylmethyl N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]carbamate
PubChem CID12805020
Molecular FormulaC16H19N3O3
Molecular Weight301.35 g/mol
Exact Mass301.14
IUPAC Namecyclopropylmethyl N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]carbamate
SMILESCC1CC(=O)NN=C1c1ccc(NC(=O)OCC2CC2)cc1
InChIInChI=1S/C16H19N3O3/c1-10-8-14(20)18-19-15(10)12-4-6-13(7-5-12)17-16(21)22-9-11-2-3-11/h4-7,10-11H,2-3,8-9H2,1H3,(H,17,21)(H,18,20)
InChIKeyAOQRXVFAPUGHCP-UHFFFAOYSA-N
XLogP2.51
TPSA79.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[(4S)-4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl]phenyl]acetamide
CID 10562323
4-amino-N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]butanamide
CID 19854552
2-bromo-N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]propanamide
CID 22160509
2-cyano-N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]acetamide
CID 13193381
3,3,3-trifluoro-N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]propanamide
CID 70599674
(4R)-4-amino-5-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)anilino]-5-oxopentanoic acid
CID 70374887
2,2-dichloro-N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]cyclopropane-1-carboxamide
CID 12807338
S-(4-fluorophenyl) N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]carbamothioate
CID 54307860
4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)benzamide
CID 14623690
2-ethoxy-N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]benzamide
CID 142082421
phenyl 4-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)anilino]-4-oxobutanoate
CID 45034728
(2R)-2-amino-3-(4-hydroxyphenyl)-N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]propanamide
CID 70375146

Frequently Asked Questions

What is the IUPAC name of cyclopropylmethyl N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]carbamate?
The IUPAC name of cyclopropylmethyl N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]carbamate (CID 12805020) is cyclopropylmethyl N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]carbamate.
What is the SMILES notation for cyclopropylmethyl N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]carbamate?
The canonical SMILES for cyclopropylmethyl N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]carbamate is CC1CC(=O)NN=C1c1ccc(NC(=O)OCC2CC2)cc1.
What is the InChIKey of cyclopropylmethyl N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]carbamate?
The InChIKey is AOQRXVFAPUGHCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3/c1-10-8-14(20)18-19-15(10)12-4-6-13(7-5-12)17-16(21)22-9-11-2-3-11/h4-7,10-11H,2-3,8-9H2,1H3,(H,17,21)(H,18,20).
What are the key properties of cyclopropylmethyl N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]carbamate?
cyclopropylmethyl N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]carbamate has a molecular weight of 301.35 g/mol, XLogP of 2.51, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropylmethyl N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]carbamate is sourced from PubChem (CID 12805020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).