2-[[2-(4-oxo-3H-phthalazin-1-yl)acetyl]amino]-N-(pyridin-4-ylmethyl)propanamide

C19H19N5O3 — CID 45371525

IUPAC2-[[2-(4-oxo-3H-phthalazin-1-yl)acetyl]amino]-N-(pyridin-4-ylmethyl)propanamide
SMILESCC(NC(=O)Cc1n[nH]c(=O)c2ccccc12)C(=O)NCc1ccncc1
InChIInChI=1S/C19H19N5O3/c1-12(18(26)21-11-13-6-8-20-9-7-13)22-17(25)10-16-14-4-2-3-5-15(14)19(27)24-23-16/h2-9,12H,10-11H2,1H3,(H,21,26)(H,22,25)(H,24,27)
InChIKeyFCRXTJDWROPYRG-UHFFFAOYSA-N
MW365.39 g/mol
LogP0.68
Rot. Bonds6

About 2-[[2-(4-oxo-3H-phthalazin-1-yl)acetyl]amino]-N-(pyridin-4-ylmethyl)propanamide

2-[[2-(4-oxo-3H-phthalazin-1-yl)acetyl]amino]-N-(pyridin-4-ylmethyl)propanamide (PubChem CID 45371525) has the molecular formula C19H19N5O3 and a molecular weight of 365.39 g/mol. Its IUPAC name is 2-[[2-(4-oxo-3H-phthalazin-1-yl)acetyl]amino]-N-(pyridin-4-ylmethyl)propanamide.

Molecular Properties

Compound Name2-[[2-(4-oxo-3H-phthalazin-1-yl)acetyl]amino]-N-(pyridin-4-ylmethyl)propanamide
PubChem CID45371525
Molecular FormulaC19H19N5O3
Molecular Weight365.39 g/mol
Exact Mass365.15
IUPAC Name2-[[2-(4-oxo-3H-phthalazin-1-yl)acetyl]amino]-N-(pyridin-4-ylmethyl)propanamide
SMILESCC(NC(=O)Cc1n[nH]c(=O)c2ccccc12)C(=O)NCc1ccncc1
InChIInChI=1S/C19H19N5O3/c1-12(18(26)21-11-13-6-8-20-9-7-13)22-17(25)10-16-14-4-2-3-5-15(14)19(27)24-23-16/h2-9,12H,10-11H2,1H3,(H,21,26)(H,22,25)(H,24,27)
InChIKeyFCRXTJDWROPYRG-UHFFFAOYSA-N
XLogP0.68
TPSA116.84 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.39
LogP ≤ 50.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-[[2-(4-oxo-3H-phthalazin-1-yl)acetyl]amino]propanoic acid
CID 51606533
N'-[(4-oxo-3H-phthalazin-1-yl)methyl]-N-(pyridin-4-ylmethyl)oxamide
CID 18567098
2-[[2-(4-oxo-3H-phthalazin-1-yl)acetyl]amino]-N-(3,4,5-trimethoxyphenyl)propanamide
CID 45370778
N-(6-methylheptan-2-yl)-2-(4-oxo-3H-phthalazin-1-yl)acetamide
CID 52996120
ethyl 3-[2-[[2-(4-oxo-3H-phthalazin-1-yl)acetyl]amino]propanoylamino]benzoate
CID 45370274
(2R)-2-chloro-N-[(4-oxo-3H-phthalazin-1-yl)methyl]propanamide
CID 7626374
N-[1-(2-chlorophenyl)ethyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide
CID 17416824
N-(1-hydroxy-3-methylpentan-2-yl)-2-(4-oxo-3H-phthalazin-1-yl)acetamide
CID 91820903
2-(4,5-dichloro-6-oxo-1H-pyridazin-3-yl)-N-(pyridin-4-ylmethyl)acetamide
CID 91403681
2-(4-oxo-3H-phthalazin-1-yl)-N-propylacetamide
CID 17394362
N-[1-oxo-1-(pyridin-4-ylmethylamino)propan-2-yl]benzamide
CID 10107876
N-(dicyclopropylmethyl)-2-(4-oxo-3H-phthalazin-1-yl)acetamide
CID 36573611

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-oxo-3H-phthalazin-1-yl)acetyl]amino]-N-(pyridin-4-ylmethyl)propanamide?
The IUPAC name of 2-[[2-(4-oxo-3H-phthalazin-1-yl)acetyl]amino]-N-(pyridin-4-ylmethyl)propanamide (CID 45371525) is 2-[[2-(4-oxo-3H-phthalazin-1-yl)acetyl]amino]-N-(pyridin-4-ylmethyl)propanamide.
What is the SMILES notation for 2-[[2-(4-oxo-3H-phthalazin-1-yl)acetyl]amino]-N-(pyridin-4-ylmethyl)propanamide?
The canonical SMILES for 2-[[2-(4-oxo-3H-phthalazin-1-yl)acetyl]amino]-N-(pyridin-4-ylmethyl)propanamide is CC(NC(=O)Cc1n[nH]c(=O)c2ccccc12)C(=O)NCc1ccncc1.
What is the InChIKey of 2-[[2-(4-oxo-3H-phthalazin-1-yl)acetyl]amino]-N-(pyridin-4-ylmethyl)propanamide?
The InChIKey is FCRXTJDWROPYRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O3/c1-12(18(26)21-11-13-6-8-20-9-7-13)22-17(25)10-16-14-4-2-3-5-15(14)19(27)24-23-16/h2-9,12H,10-11H2,1H3,(H,21,26)(H,22,25)(H,24,27).
What are the key properties of 2-[[2-(4-oxo-3H-phthalazin-1-yl)acetyl]amino]-N-(pyridin-4-ylmethyl)propanamide?
2-[[2-(4-oxo-3H-phthalazin-1-yl)acetyl]amino]-N-(pyridin-4-ylmethyl)propanamide has a molecular weight of 365.39 g/mol, XLogP of 0.68, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4-oxo-3H-phthalazin-1-yl)acetyl]amino]-N-(pyridin-4-ylmethyl)propanamide is sourced from PubChem (CID 45371525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).