3-morpholin-4-ylpropyl N-[5-[[3-(3-chlorophenyl)-6-oxopyridazin-1-yl]methyl]-2-pyridinyl]carbamate

C24H26ClN5O4 — CID 16746770

IUPAC3-morpholin-4-ylpropyl N-[5-[[3-(3-chlorophenyl)-6-oxopyridazin-1-yl]methyl]-2-pyridinyl]carbamate
SMILESO=C(Nc1ccc(Cn2nc(-c3cccc(Cl)c3)ccc2=O)cn1)OCCCN1CCOCC1
InChIInChI=1S/C24H26ClN5O4/c25-20-4-1-3-19(15-20)21-6-8-23(31)30(28-21)17-18-5-7-22(26-16-18)27-24(32)34-12-2-9-29-10-13-33-14-11-29/h1,3-8,15-16H,2,9-14,17H2,(H,26,27,32)
InChIKeySFRPQVMFSVIXIZ-UHFFFAOYSA-N
MW483.96 g/mol
LogP3.28
Rot. Bonds8

About 3-morpholin-4-ylpropyl N-[5-[[3-(3-chlorophenyl)-6-oxopyridazin-1-yl]methyl]-2-pyridinyl]carbamate

3-morpholin-4-ylpropyl N-[5-[[3-(3-chlorophenyl)-6-oxopyridazin-1-yl]methyl]-2-pyridinyl]carbamate (PubChem CID 16746770) has the molecular formula C24H26ClN5O4 and a molecular weight of 483.96 g/mol. Its IUPAC name is 3-morpholin-4-ylpropyl N-[5-[[3-(3-chlorophenyl)-6-oxopyridazin-1-yl]methyl]-2-pyridinyl]carbamate.

Molecular Properties

Compound Name3-morpholin-4-ylpropyl N-[5-[[3-(3-chlorophenyl)-6-oxopyridazin-1-yl]methyl]-2-pyridinyl]carbamate
PubChem CID16746770
Molecular FormulaC24H26ClN5O4
Molecular Weight483.96 g/mol
Exact Mass483.17
IUPAC Name3-morpholin-4-ylpropyl N-[5-[[3-(3-chlorophenyl)-6-oxopyridazin-1-yl]methyl]-2-pyridinyl]carbamate
SMILESO=C(Nc1ccc(Cn2nc(-c3cccc(Cl)c3)ccc2=O)cn1)OCCCN1CCOCC1
InChIInChI=1S/C24H26ClN5O4/c25-20-4-1-3-19(15-20)21-6-8-23(31)30(28-21)17-18-5-7-22(26-16-18)27-24(32)34-12-2-9-29-10-13-33-14-11-29/h1,3-8,15-16H,2,9-14,17H2,(H,26,27,32)
InChIKeySFRPQVMFSVIXIZ-UHFFFAOYSA-N
XLogP3.28
TPSA98.58 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.96
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(3-chlorophenyl)-N-[5-(morpholin-4-ylmethyl)-2-pyridinyl]-1,2-oxazole-5-carboxamide
CID 75469948
3-(dimethylamino)propyl N-[3-[[3-(3-chlorophenyl)-6-oxopyridazin-1-yl]methyl]phenyl]carbamate
CID 16747499
1-ethyl-3-[4-[[3-[3-(2-morpholin-4-ylethoxy)phenyl]-6-oxopyridazin-1-yl]methyl]phenyl]urea
CID 16747501
3-pyrrolidin-1-ylpropyl N-[3-[[6-oxo-3-(3,4,5-trifluorophenyl)pyridazin-1-yl]methyl]phenyl]carbamate
CID 59849672
1-ethyl-3-[3-[[3-[3-(2-morpholin-4-ylethoxy)phenyl]-6-oxopyridazin-1-yl]methyl]phenyl]urea
CID 59849671
6-(3-chlorophenyl)-2-(3-morpholin-4-ylpropyl)-4-phenylpyridazin-3-one
CID 3038268
[3-[[3-(3-cyanophenyl)-6-oxopyridazin-1-yl]methyl]phenyl]-(3-morpholin-4-ylpropyl)carbamic acid
CID 67420420
3-(4-methylpiperazin-1-yl)propyl N-[3-[[3-(2,1,3-benzothiadiazol-5-yl)-6-oxopyridazin-1-yl]methyl]phenyl]carbamate
CID 59849748
3-[1-[[3-[5-(2-morpholin-4-ylethoxy)pyrimidin-2-yl]phenyl]methyl]-6-oxopyridazin-3-yl]benzonitrile
CID 68509959
ethyl N-[3-[[3-[4-(2-morpholin-4-ylethylcarbamoyl)phenyl]-6-oxopyridazin-1-yl]methyl]phenyl]carbamate
CID 59406777
3-(dimethylamino)propyl 2-[3-[[3-(3-chlorophenyl)-6-oxopyridazin-1-yl]methyl]phenyl]acetate
CID 159553230
N-(2-morpholin-4-ylethyl)-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide
CID 5053341

Frequently Asked Questions

What is the IUPAC name of 3-morpholin-4-ylpropyl N-[5-[[3-(3-chlorophenyl)-6-oxopyridazin-1-yl]methyl]-2-pyridinyl]carbamate?
The IUPAC name of 3-morpholin-4-ylpropyl N-[5-[[3-(3-chlorophenyl)-6-oxopyridazin-1-yl]methyl]-2-pyridinyl]carbamate (CID 16746770) is 3-morpholin-4-ylpropyl N-[5-[[3-(3-chlorophenyl)-6-oxopyridazin-1-yl]methyl]-2-pyridinyl]carbamate.
What is the SMILES notation for 3-morpholin-4-ylpropyl N-[5-[[3-(3-chlorophenyl)-6-oxopyridazin-1-yl]methyl]-2-pyridinyl]carbamate?
The canonical SMILES for 3-morpholin-4-ylpropyl N-[5-[[3-(3-chlorophenyl)-6-oxopyridazin-1-yl]methyl]-2-pyridinyl]carbamate is O=C(Nc1ccc(Cn2nc(-c3cccc(Cl)c3)ccc2=O)cn1)OCCCN1CCOCC1.
What is the InChIKey of 3-morpholin-4-ylpropyl N-[5-[[3-(3-chlorophenyl)-6-oxopyridazin-1-yl]methyl]-2-pyridinyl]carbamate?
The InChIKey is SFRPQVMFSVIXIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26ClN5O4/c25-20-4-1-3-19(15-20)21-6-8-23(31)30(28-21)17-18-5-7-22(26-16-18)27-24(32)34-12-2-9-29-10-13-33-14-11-29/h1,3-8,15-16H,2,9-14,17H2,(H,26,27,32).
What are the key properties of 3-morpholin-4-ylpropyl N-[5-[[3-(3-chlorophenyl)-6-oxopyridazin-1-yl]methyl]-2-pyridinyl]carbamate?
3-morpholin-4-ylpropyl N-[5-[[3-(3-chlorophenyl)-6-oxopyridazin-1-yl]methyl]-2-pyridinyl]carbamate has a molecular weight of 483.96 g/mol, XLogP of 3.28, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-morpholin-4-ylpropyl N-[5-[[3-(3-chlorophenyl)-6-oxopyridazin-1-yl]methyl]-2-pyridinyl]carbamate is sourced from PubChem (CID 16746770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).