N-[2-(3-amino-3-oxopropoxy)phenyl]-6-(2-chlorophenyl)sulfanylpyridazine-3-carboxamide

C20H17ClN4O3S — CID 71871538

IUPACN-[2-(3-amino-3-oxopropoxy)phenyl]-6-(2-chlorophenyl)sulfanylpyridazine-3-carboxamide
SMILESNC(=O)CCOc1ccccc1NC(=O)c1ccc(Sc2ccccc2Cl)nn1
InChIInChI=1S/C20H17ClN4O3S/c21-13-5-1-4-8-17(13)29-19-10-9-15(24-25-19)20(27)23-14-6-2-3-7-16(14)28-12-11-18(22)26/h1-10H,11-12H2,(H2,22,26)(H,23,27)
InChIKeyMUDLAPSUFABBTE-UHFFFAOYSA-N
MW428.90 g/mol
LogP3.79
Rot. Bonds8

About N-[2-(3-amino-3-oxopropoxy)phenyl]-6-(2-chlorophenyl)sulfanylpyridazine-3-carboxamide

N-[2-(3-amino-3-oxopropoxy)phenyl]-6-(2-chlorophenyl)sulfanylpyridazine-3-carboxamide (PubChem CID 71871538) has the molecular formula C20H17ClN4O3S and a molecular weight of 428.90 g/mol. Its IUPAC name is N-[2-(3-amino-3-oxopropoxy)phenyl]-6-(2-chlorophenyl)sulfanylpyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(3-amino-3-oxopropoxy)phenyl]-6-(2-chlorophenyl)sulfanylpyridazine-3-carboxamide
PubChem CID71871538
Molecular FormulaC20H17ClN4O3S
Molecular Weight428.90 g/mol
Exact Mass428.07
IUPAC NameN-[2-(3-amino-3-oxopropoxy)phenyl]-6-(2-chlorophenyl)sulfanylpyridazine-3-carboxamide
SMILESNC(=O)CCOc1ccccc1NC(=O)c1ccc(Sc2ccccc2Cl)nn1
InChIInChI=1S/C20H17ClN4O3S/c21-13-5-1-4-8-17(13)29-19-10-9-15(24-25-19)20(27)23-14-6-2-3-7-16(14)28-12-11-18(22)26/h1-10H,11-12H2,(H2,22,26)(H,23,27)
InChIKeyMUDLAPSUFABBTE-UHFFFAOYSA-N
XLogP3.79
TPSA107.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.90
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-aminobutyl)-6-(2-chlorophenyl)sulfanylpyridazine-3-carboxamide;hydrochloride
CID 119498507
N-[2-(3-amino-3-oxopropoxy)phenyl]-2-methylpropanamide
CID 47239947
4-[[6-(2-chlorophenyl)sulfanylpyridazine-3-carbonyl]amino]-4-methylpentanoic acid
CID 119357320
4-amino-N-[2-(3-amino-3-oxopropoxy)phenyl]-1,2,5-oxadiazole-3-carboxamide
CID 62688512
N-[2-(3-amino-3-oxopropoxy)phenyl]-2-bromopropanamide
CID 114014367
2-amino-N-[2-(3-amino-3-oxopropoxy)phenyl]-3-methylbutanamide
CID 43712567
(2S,3S)-2-amino-N-[2-(3-amino-3-oxopropoxy)phenyl]-3-methylpentanamide
CID 61178634
1-(aminomethyl)-N-[2-(3-amino-3-oxopropoxy)phenyl]cyclopropane-1-carboxamide
CID 115452598
6-(2-chlorophenyl)sulfanyl-N-[1-(4,5-dimethyl-1H-imidazol-2-yl)ethyl]pyridazine-3-carboxamide
CID 166218912
6-(2-chlorophenyl)sulfanyl-N-(pyrrolidin-2-ylmethyl)pyridazine-3-carboxamide
CID 119513560
2-amino-N-[2-(3-amino-3-oxopropoxy)phenyl]-2-ethylbutanamide
CID 79813998
N-[2-(3-amino-3-oxopropoxy)phenyl]-2-methoxy-2-methylpropanamide
CID 103028884

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-amino-3-oxopropoxy)phenyl]-6-(2-chlorophenyl)sulfanylpyridazine-3-carboxamide?
The IUPAC name of N-[2-(3-amino-3-oxopropoxy)phenyl]-6-(2-chlorophenyl)sulfanylpyridazine-3-carboxamide (CID 71871538) is N-[2-(3-amino-3-oxopropoxy)phenyl]-6-(2-chlorophenyl)sulfanylpyridazine-3-carboxamide.
What is the SMILES notation for N-[2-(3-amino-3-oxopropoxy)phenyl]-6-(2-chlorophenyl)sulfanylpyridazine-3-carboxamide?
The canonical SMILES for N-[2-(3-amino-3-oxopropoxy)phenyl]-6-(2-chlorophenyl)sulfanylpyridazine-3-carboxamide is NC(=O)CCOc1ccccc1NC(=O)c1ccc(Sc2ccccc2Cl)nn1.
What is the InChIKey of N-[2-(3-amino-3-oxopropoxy)phenyl]-6-(2-chlorophenyl)sulfanylpyridazine-3-carboxamide?
The InChIKey is MUDLAPSUFABBTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClN4O3S/c21-13-5-1-4-8-17(13)29-19-10-9-15(24-25-19)20(27)23-14-6-2-3-7-16(14)28-12-11-18(22)26/h1-10H,11-12H2,(H2,22,26)(H,23,27).
What are the key properties of N-[2-(3-amino-3-oxopropoxy)phenyl]-6-(2-chlorophenyl)sulfanylpyridazine-3-carboxamide?
N-[2-(3-amino-3-oxopropoxy)phenyl]-6-(2-chlorophenyl)sulfanylpyridazine-3-carboxamide has a molecular weight of 428.90 g/mol, XLogP of 3.79, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-amino-3-oxopropoxy)phenyl]-6-(2-chlorophenyl)sulfanylpyridazine-3-carboxamide is sourced from PubChem (CID 71871538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).