N-[4-[[4-(pyridin-4-ylmethyl)phthalazin-1-yl]amino]phenyl]acetamide

C22H19N5O — CID 22741957

IUPACN-[4-[[4-(pyridin-4-ylmethyl)phthalazin-1-yl]amino]phenyl]acetamide
SMILESCC(=O)Nc1ccc(Nc2nnc(Cc3ccncc3)c3ccccc23)cc1
InChIInChI=1S/C22H19N5O/c1-15(28)24-17-6-8-18(9-7-17)25-22-20-5-3-2-4-19(20)21(26-27-22)14-16-10-12-23-13-11-16/h2-13H,14H2,1H3,(H,24,28)(H,25,27)
InChIKeyMFNGCHAIFLKMPT-UHFFFAOYSA-N
MW369.43 g/mol
LogP4.32
Rot. Bonds5

About N-[4-[[4-(pyridin-4-ylmethyl)phthalazin-1-yl]amino]phenyl]acetamide

N-[4-[[4-(pyridin-4-ylmethyl)phthalazin-1-yl]amino]phenyl]acetamide (PubChem CID 22741957) has the molecular formula C22H19N5O and a molecular weight of 369.43 g/mol. Its IUPAC name is N-[4-[[4-(pyridin-4-ylmethyl)phthalazin-1-yl]amino]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[4-(pyridin-4-ylmethyl)phthalazin-1-yl]amino]phenyl]acetamide
PubChem CID22741957
Molecular FormulaC22H19N5O
Molecular Weight369.43 g/mol
Exact Mass369.16
IUPAC NameN-[4-[[4-(pyridin-4-ylmethyl)phthalazin-1-yl]amino]phenyl]acetamide
SMILESCC(=O)Nc1ccc(Nc2nnc(Cc3ccncc3)c3ccccc23)cc1
InChIInChI=1S/C22H19N5O/c1-15(28)24-17-6-8-18(9-7-17)25-22-20-5-3-2-4-19(20)21(26-27-22)14-16-10-12-23-13-11-16/h2-13H,14H2,1H3,(H,24,28)(H,25,27)
InChIKeyMFNGCHAIFLKMPT-UHFFFAOYSA-N
XLogP4.32
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.43
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-[[4-(pyridin-4-ylmethyl)phthalazin-1-yl]amino]phenyl]acetamide?
The IUPAC name of N-[4-[[4-(pyridin-4-ylmethyl)phthalazin-1-yl]amino]phenyl]acetamide (CID 22741957) is N-[4-[[4-(pyridin-4-ylmethyl)phthalazin-1-yl]amino]phenyl]acetamide.
What is the SMILES notation for N-[4-[[4-(pyridin-4-ylmethyl)phthalazin-1-yl]amino]phenyl]acetamide?
The canonical SMILES for N-[4-[[4-(pyridin-4-ylmethyl)phthalazin-1-yl]amino]phenyl]acetamide is CC(=O)Nc1ccc(Nc2nnc(Cc3ccncc3)c3ccccc23)cc1.
What is the InChIKey of N-[4-[[4-(pyridin-4-ylmethyl)phthalazin-1-yl]amino]phenyl]acetamide?
The InChIKey is MFNGCHAIFLKMPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N5O/c1-15(28)24-17-6-8-18(9-7-17)25-22-20-5-3-2-4-19(20)21(26-27-22)14-16-10-12-23-13-11-16/h2-13H,14H2,1H3,(H,24,28)(H,25,27).
What are the key properties of N-[4-[[4-(pyridin-4-ylmethyl)phthalazin-1-yl]amino]phenyl]acetamide?
N-[4-[[4-(pyridin-4-ylmethyl)phthalazin-1-yl]amino]phenyl]acetamide has a molecular weight of 369.43 g/mol, XLogP of 4.32, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[4-(pyridin-4-ylmethyl)phthalazin-1-yl]amino]phenyl]acetamide is sourced from PubChem (CID 22741957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).