(2R)-2-amino-3-(4-hydroxyphenyl)-N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]propanamide

C20H22N4O3 — CID 70375146

IUPAC(2R)-2-amino-3-(4-hydroxyphenyl)-N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]propanamide
SMILESCC1CC(=O)NN=C1c1ccc(NC(=O)[C@H](N)Cc2ccc(O)cc2)cc1
InChIInChI=1S/C20H22N4O3/c1-12-10-18(26)23-24-19(12)14-4-6-15(7-5-14)22-20(27)17(21)11-13-2-8-16(25)9-3-13/h2-9,12,17,25H,10-11,21H2,1H3,(H,22,27)(H,23,26)/t12?,17-/m1/s1
InChIKeyYYJPDUXXQMHBOC-RGUGMKFQSA-N
MW366.42 g/mol
LogP1.76
Rot. Bonds5

About (2R)-2-amino-3-(4-hydroxyphenyl)-N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]propanamide

(2R)-2-amino-3-(4-hydroxyphenyl)-N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]propanamide (PubChem CID 70375146) has the molecular formula C20H22N4O3 and a molecular weight of 366.42 g/mol. Its IUPAC name is (2R)-2-amino-3-(4-hydroxyphenyl)-N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]propanamide.

Molecular Properties

Compound Name(2R)-2-amino-3-(4-hydroxyphenyl)-N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]propanamide
PubChem CID70375146
Molecular FormulaC20H22N4O3
Molecular Weight366.42 g/mol
Exact Mass366.17
IUPAC Name(2R)-2-amino-3-(4-hydroxyphenyl)-N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]propanamide
SMILESCC1CC(=O)NN=C1c1ccc(NC(=O)[C@H](N)Cc2ccc(O)cc2)cc1
InChIInChI=1S/C20H22N4O3/c1-12-10-18(26)23-24-19(12)14-4-6-15(7-5-14)22-20(27)17(21)11-13-2-8-16(25)9-3-13/h2-9,12,17,25H,10-11,21H2,1H3,(H,22,27)(H,23,26)/t12?,17-/m1/s1
InChIKeyYYJPDUXXQMHBOC-RGUGMKFQSA-N
XLogP1.76
TPSA116.81 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 51.76
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

(4R)-4-amino-5-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)anilino]-5-oxopentanoic acid
CID 70374887
N-[4-[(4S)-4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl]phenyl]acetamide
CID 10562323
3,3,3-trifluoro-N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]propanamide
CID 70599674
2,3-dimethyl-N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]-4-oxopentanethioamide
CID 88654008
cyclopropylmethyl N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]carbamate
CID 12805020
2-amino-N-(4-fluorophenyl)-3-(4-hydroxyphenyl)propanamide
CID 76891904
(2R)-2-amino-3-(4-hydroxyphenyl)-N-(4-methylsulfanylphenyl)propanamide
CID 104904568
N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]furan-2-carboxamide
CID 13228917
(2S)-2-amino-3-(4-hydroxyphenyl)-N-(1-methylpyrazol-4-yl)propanamide
CID 61156101
N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]-1,3-thiazolidine-2-carboxamide;hydrochloride
CID 70393396
2-ethoxy-N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]benzamide
CID 142082421
2-amino-N-(3,5-difluorophenyl)-3-(4-hydroxyphenyl)propanamide
CID 76891970

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-3-(4-hydroxyphenyl)-N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]propanamide?
The IUPAC name of (2R)-2-amino-3-(4-hydroxyphenyl)-N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]propanamide (CID 70375146) is (2R)-2-amino-3-(4-hydroxyphenyl)-N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]propanamide.
What is the SMILES notation for (2R)-2-amino-3-(4-hydroxyphenyl)-N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]propanamide?
The canonical SMILES for (2R)-2-amino-3-(4-hydroxyphenyl)-N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]propanamide is CC1CC(=O)NN=C1c1ccc(NC(=O)[C@H](N)Cc2ccc(O)cc2)cc1.
What is the InChIKey of (2R)-2-amino-3-(4-hydroxyphenyl)-N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]propanamide?
The InChIKey is YYJPDUXXQMHBOC-RGUGMKFQSA-N. The full InChI is InChI=1S/C20H22N4O3/c1-12-10-18(26)23-24-19(12)14-4-6-15(7-5-14)22-20(27)17(21)11-13-2-8-16(25)9-3-13/h2-9,12,17,25H,10-11,21H2,1H3,(H,22,27)(H,23,26)/t12?,17-/m1/s1.
What are the key properties of (2R)-2-amino-3-(4-hydroxyphenyl)-N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]propanamide?
(2R)-2-amino-3-(4-hydroxyphenyl)-N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]propanamide has a molecular weight of 366.42 g/mol, XLogP of 1.76, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-3-(4-hydroxyphenyl)-N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]propanamide is sourced from PubChem (CID 70375146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).