tert-butyl N-[3-oxo-3-[3-[(6-oxo-1H-pyridazine-3-carbonyl)amino]anilino]propyl]carbamate

C19H23N5O5 — CID 108920072

IUPACtert-butyl N-[3-oxo-3-[3-[(6-oxo-1H-pyridazine-3-carbonyl)amino]anilino]propyl]carbamate
SMILESCC(C)(C)OC(=O)NCCC(=O)Nc1cccc(NC(=O)c2ccc(=O)[nH]n2)c1
InChIInChI=1S/C19H23N5O5/c1-19(2,3)29-18(28)20-10-9-15(25)21-12-5-4-6-13(11-12)22-17(27)14-7-8-16(26)24-23-14/h4-8,11H,9-10H2,1-3H3,(H,20,28)(H,21,25)(H,22,27)(H,24,26)
InChIKeyQRPSQDMGWFHBCW-UHFFFAOYSA-N
MW401.42 g/mol
LogP1.88
Rot. Bonds6

About tert-butyl N-[3-oxo-3-[3-[(6-oxo-1H-pyridazine-3-carbonyl)amino]anilino]propyl]carbamate

tert-butyl N-[3-oxo-3-[3-[(6-oxo-1H-pyridazine-3-carbonyl)amino]anilino]propyl]carbamate (PubChem CID 108920072) has the molecular formula C19H23N5O5 and a molecular weight of 401.42 g/mol. Its IUPAC name is tert-butyl N-[3-oxo-3-[3-[(6-oxo-1H-pyridazine-3-carbonyl)amino]anilino]propyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-oxo-3-[3-[(6-oxo-1H-pyridazine-3-carbonyl)amino]anilino]propyl]carbamate
PubChem CID108920072
Molecular FormulaC19H23N5O5
Molecular Weight401.42 g/mol
Exact Mass401.17
IUPAC Nametert-butyl N-[3-oxo-3-[3-[(6-oxo-1H-pyridazine-3-carbonyl)amino]anilino]propyl]carbamate
SMILESCC(C)(C)OC(=O)NCCC(=O)Nc1cccc(NC(=O)c2ccc(=O)[nH]n2)c1
InChIInChI=1S/C19H23N5O5/c1-19(2,3)29-18(28)20-10-9-15(25)21-12-5-4-6-13(11-12)22-17(27)14-7-8-16(26)24-23-14/h4-8,11H,9-10H2,1-3H3,(H,20,28)(H,21,25)(H,22,27)(H,24,26)
InChIKeyQRPSQDMGWFHBCW-UHFFFAOYSA-N
XLogP1.88
TPSA142.28 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.42
LogP ≤ 51.88
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze tert-butyl N-[3-oxo-3-[3-[(6-oxo-1H-pyridazine-3-carbonyl)amino]anilino]propyl]carbamate with MolForge

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Related Compounds

tert-butyl N-[3-oxo-3-[3-[(2,2,2-trifluoroacetyl)amino]anilino]propyl]carbamate
CID 108919991
tert-butyl N-[3-oxo-3-[3-[(3,4,5-triethoxybenzoyl)amino]anilino]propyl]carbamate
CID 108920014
tert-butyl N-[3-[3-[3-(4-methylphenyl)propanoylamino]anilino]-3-oxopropyl]carbamate
CID 108920089
tert-butyl N-[3-[3-[[4-(4-methylphenyl)-4-oxobutanoyl]amino]anilino]-3-oxopropyl]carbamate
CID 108920034
tert-butyl N-[3-oxo-3-[3-(trifluoromethoxy)anilino]propyl]carbamate
CID 38207855
tert-butyl N-[3-[3-[[(2-methoxyacetyl)amino]methyl]anilino]-3-oxopropyl]carbamate
CID 108921371
tert-butyl N-[3-[3-[[2-(2-methoxyphenyl)acetyl]amino]anilino]-3-oxopropyl]carbamate
CID 108920115
tert-butyl N-[3-[3-[[[2-(3-methylphenyl)acetyl]amino]methyl]anilino]-3-oxopropyl]carbamate
CID 108921418
tert-butyl N-[3-(4-anilinoanilino)-3-oxopropyl]carbamate
CID 29265817
tert-butyl N-[3-[4-[(3-methoxybenzoyl)amino]anilino]-3-oxopropyl]carbamate
CID 108919818
tert-butyl N-[2-oxo-2-[3-(pentanoylamino)anilino]ethyl]carbamate
CID 108917175
tert-butyl N-[3-[(1-methyl-2-oxo-4-pyridinyl)amino]-3-oxopropyl]carbamate
CID 154760852

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-oxo-3-[3-[(6-oxo-1H-pyridazine-3-carbonyl)amino]anilino]propyl]carbamate?
The IUPAC name of tert-butyl N-[3-oxo-3-[3-[(6-oxo-1H-pyridazine-3-carbonyl)amino]anilino]propyl]carbamate (CID 108920072) is tert-butyl N-[3-oxo-3-[3-[(6-oxo-1H-pyridazine-3-carbonyl)amino]anilino]propyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-oxo-3-[3-[(6-oxo-1H-pyridazine-3-carbonyl)amino]anilino]propyl]carbamate?
The canonical SMILES for tert-butyl N-[3-oxo-3-[3-[(6-oxo-1H-pyridazine-3-carbonyl)amino]anilino]propyl]carbamate is CC(C)(C)OC(=O)NCCC(=O)Nc1cccc(NC(=O)c2ccc(=O)[nH]n2)c1.
What is the InChIKey of tert-butyl N-[3-oxo-3-[3-[(6-oxo-1H-pyridazine-3-carbonyl)amino]anilino]propyl]carbamate?
The InChIKey is QRPSQDMGWFHBCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O5/c1-19(2,3)29-18(28)20-10-9-15(25)21-12-5-4-6-13(11-12)22-17(27)14-7-8-16(26)24-23-14/h4-8,11H,9-10H2,1-3H3,(H,20,28)(H,21,25)(H,22,27)(H,24,26).
What are the key properties of tert-butyl N-[3-oxo-3-[3-[(6-oxo-1H-pyridazine-3-carbonyl)amino]anilino]propyl]carbamate?
tert-butyl N-[3-oxo-3-[3-[(6-oxo-1H-pyridazine-3-carbonyl)amino]anilino]propyl]carbamate has a molecular weight of 401.42 g/mol, XLogP of 1.88, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-oxo-3-[3-[(6-oxo-1H-pyridazine-3-carbonyl)amino]anilino]propyl]carbamate is sourced from PubChem (CID 108920072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).