tert-butyl N-[1-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)anilino]propan-2-yl]carbamate

C19H28N4O3 — CID 14578712

IUPACtert-butyl N-[1-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)anilino]propan-2-yl]carbamate
SMILESCC(CNc1ccc(C2=NNC(=O)CC2C)cc1)NC(=O)OC(C)(C)C
InChIInChI=1S/C19H28N4O3/c1-12-10-16(24)22-23-17(12)14-6-8-15(9-7-14)20-11-13(2)21-18(25)26-19(3,4)5/h6-9,12-13,20H,10-11H2,1-5H3,(H,21,25)(H,22,24)
InChIKeyRDPNBNCUBJKVDP-UHFFFAOYSA-N
MW360.46 g/mol
LogP2.87
Rot. Bonds5

About tert-butyl N-[1-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)anilino]propan-2-yl]carbamate

tert-butyl N-[1-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)anilino]propan-2-yl]carbamate (PubChem CID 14578712) has the molecular formula C19H28N4O3 and a molecular weight of 360.46 g/mol. Its IUPAC name is tert-butyl N-[1-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)anilino]propan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)anilino]propan-2-yl]carbamate
PubChem CID14578712
Molecular FormulaC19H28N4O3
Molecular Weight360.46 g/mol
Exact Mass360.22
IUPAC Nametert-butyl N-[1-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)anilino]propan-2-yl]carbamate
SMILESCC(CNc1ccc(C2=NNC(=O)CC2C)cc1)NC(=O)OC(C)(C)C
InChIInChI=1S/C19H28N4O3/c1-12-10-16(24)22-23-17(12)14-6-8-15(9-7-14)20-11-13(2)21-18(25)26-19(3,4)5/h6-9,12-13,20H,10-11H2,1-5H3,(H,21,25)(H,22,24)
InChIKeyRDPNBNCUBJKVDP-UHFFFAOYSA-N
XLogP2.87
TPSA91.82 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 52.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze tert-butyl N-[1-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)anilino]propan-2-yl]carbamate with MolForge

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Related Compounds

cyclopropylmethyl N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]carbamate
CID 12805020
3,3,3-trifluoro-N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]propanamide
CID 70599674
tert-butyl N-[1-[4-(methanesulfonamidomethyl)anilino]propan-2-yl]carbamate
CID 57068373
3-[4-[[2-[[2-hydroxy-3-(1H-indol-4-yloxy)propyl]amino]-2-methylpropyl]amino]phenyl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one
CID 10766530
N-ethoxy-N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]acetamide
CID 88703856
N-[4-[(4R)-4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl]phenyl]-2-(trifluoromethyl)benzamide
CID 23647030
[1-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]-1-oxobutan-2-yl] acetate
CID 22160501
tert-butyl N-[1-[(5-oxo-4,6-dihydro-1H-pyrimidin-2-yl)amino]propan-2-yl]carbamate
CID 123968448
(4R)-3-[4-[[2-[[(2S)-3-(3-bromo-3-nitrocyclohexa-1,5-dien-1-yl)oxy-2-hydroxypropyl]amino]-2-methylpropyl]amino]phenyl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one
CID 139774173
2,4-dichloro-5-fluoro-N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]benzamide
CID 24740392
N-[2-[[3-(2-chlorophenoxy)-2-hydroxypropyl]amino]-2-methylpropyl]-2-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenoxy]acetamide
CID 15016333
tert-butyl N-[1-(thiophen-2-ylamino)propan-2-yl]carbamate
CID 90458389

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)anilino]propan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[1-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)anilino]propan-2-yl]carbamate (CID 14578712) is tert-butyl N-[1-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)anilino]propan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)anilino]propan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)anilino]propan-2-yl]carbamate is CC(CNc1ccc(C2=NNC(=O)CC2C)cc1)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[1-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)anilino]propan-2-yl]carbamate?
The InChIKey is RDPNBNCUBJKVDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O3/c1-12-10-16(24)22-23-17(12)14-6-8-15(9-7-14)20-11-13(2)21-18(25)26-19(3,4)5/h6-9,12-13,20H,10-11H2,1-5H3,(H,21,25)(H,22,24).
What are the key properties of tert-butyl N-[1-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)anilino]propan-2-yl]carbamate?
tert-butyl N-[1-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)anilino]propan-2-yl]carbamate has a molecular weight of 360.46 g/mol, XLogP of 2.87, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)anilino]propan-2-yl]carbamate is sourced from PubChem (CID 14578712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).