N-[4-(4-chloroanilino)-1-(pyridin-4-ylmethyl)phthalazin-6-yl]acetamide

C22H18ClN5O — CID 22741999

IUPACN-[4-(4-chloroanilino)-1-(pyridin-4-ylmethyl)phthalazin-6-yl]acetamide
SMILESCC(=O)Nc1ccc2c(Cc3ccncc3)nnc(Nc3ccc(Cl)cc3)c2c1
InChIInChI=1S/C22H18ClN5O/c1-14(29)25-18-6-7-19-20(13-18)22(26-17-4-2-16(23)3-5-17)28-27-21(19)12-15-8-10-24-11-9-15/h2-11,13H,12H2,1H3,(H,25,29)(H,26,28)
InChIKeySYXDQSXGWBKVMF-UHFFFAOYSA-N
MW403.87 g/mol
LogP4.97
Rot. Bonds5

About N-[4-(4-chloroanilino)-1-(pyridin-4-ylmethyl)phthalazin-6-yl]acetamide

N-[4-(4-chloroanilino)-1-(pyridin-4-ylmethyl)phthalazin-6-yl]acetamide (PubChem CID 22741999) has the molecular formula C22H18ClN5O and a molecular weight of 403.87 g/mol. Its IUPAC name is N-[4-(4-chloroanilino)-1-(pyridin-4-ylmethyl)phthalazin-6-yl]acetamide.

Molecular Properties

Compound NameN-[4-(4-chloroanilino)-1-(pyridin-4-ylmethyl)phthalazin-6-yl]acetamide
PubChem CID22741999
Molecular FormulaC22H18ClN5O
Molecular Weight403.87 g/mol
Exact Mass403.12
IUPAC NameN-[4-(4-chloroanilino)-1-(pyridin-4-ylmethyl)phthalazin-6-yl]acetamide
SMILESCC(=O)Nc1ccc2c(Cc3ccncc3)nnc(Nc3ccc(Cl)cc3)c2c1
InChIInChI=1S/C22H18ClN5O/c1-14(29)25-18-6-7-19-20(13-18)22(26-17-4-2-16(23)3-5-17)28-27-21(19)12-15-8-10-24-11-9-15/h2-11,13H,12H2,1H3,(H,25,29)(H,26,28)
InChIKeySYXDQSXGWBKVMF-UHFFFAOYSA-N
XLogP4.97
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.87
LogP ≤ 54.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-N-(4-chlorophenyl)-4-(pyridin-4-ylmethyl)phthalazine-1,7-diamine
CID 6419378
1-N-(4-chlorophenyl)-4-(pyridin-4-ylmethyl)phthalazine-1,7-diamine;hydrochloride
CID 22741956
N-[4-[[4-(pyridin-4-ylmethyl)phthalazin-1-yl]amino]phenyl]acetamide
CID 22741957
N-(4-chlorophenyl)-4-(pyridin-4-ylmethyl)phthalazin-1-amine;methanesulfonic acid
CID 71584923
N-(4-chlorophenyl)-4-(pyridin-4-ylmethyl)phthalazin-1-amine;methane
CID 159919598
azanium;N-(4-chlorophenyl)-4-(pyridin-4-ylmethyl)phthalazin-1-amine;pentanedioic acid
CID 15604672
N-(4-chlorophenyl)-8-methyl-4-(pyridin-4-ylmethyl)phthalazin-1-amine
CID 102369950
N-[4-(4-chloroanilino)phenyl]acetamide
CID 71397904
N-(4-chlorophenyl)-4-(pyridin-4-ylmethyl)phthalazin-1-amine;(E)-N-hydroxy-3-[4-[[2-hydroxyethyl-[2-(1H-indol-3-yl)ethyl]amino]methyl]phenyl]prop-2-enamide
CID 11158415
1-(3-methoxyphenyl)-3-[4-[[4-[(4-methoxyphenyl)methyl]phthalazin-1-yl]amino]phenyl]urea
CID 127033213
1-[1-[(4-chlorophenyl)methyl]-4-oxo-3H-phthalazin-6-yl]-3-(3,4-dichlorophenyl)urea
CID 69151484
4-hydroxy-N-[4-(pyridin-4-ylmethyl)phthalazin-1-yl]benzamide
CID 174484534

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-chloroanilino)-1-(pyridin-4-ylmethyl)phthalazin-6-yl]acetamide?
The IUPAC name of N-[4-(4-chloroanilino)-1-(pyridin-4-ylmethyl)phthalazin-6-yl]acetamide (CID 22741999) is N-[4-(4-chloroanilino)-1-(pyridin-4-ylmethyl)phthalazin-6-yl]acetamide.
What is the SMILES notation for N-[4-(4-chloroanilino)-1-(pyridin-4-ylmethyl)phthalazin-6-yl]acetamide?
The canonical SMILES for N-[4-(4-chloroanilino)-1-(pyridin-4-ylmethyl)phthalazin-6-yl]acetamide is CC(=O)Nc1ccc2c(Cc3ccncc3)nnc(Nc3ccc(Cl)cc3)c2c1.
What is the InChIKey of N-[4-(4-chloroanilino)-1-(pyridin-4-ylmethyl)phthalazin-6-yl]acetamide?
The InChIKey is SYXDQSXGWBKVMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18ClN5O/c1-14(29)25-18-6-7-19-20(13-18)22(26-17-4-2-16(23)3-5-17)28-27-21(19)12-15-8-10-24-11-9-15/h2-11,13H,12H2,1H3,(H,25,29)(H,26,28).
What are the key properties of N-[4-(4-chloroanilino)-1-(pyridin-4-ylmethyl)phthalazin-6-yl]acetamide?
N-[4-(4-chloroanilino)-1-(pyridin-4-ylmethyl)phthalazin-6-yl]acetamide has a molecular weight of 403.87 g/mol, XLogP of 4.97, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-chloroanilino)-1-(pyridin-4-ylmethyl)phthalazin-6-yl]acetamide is sourced from PubChem (CID 22741999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).