N-(4-chlorophenyl)-4-(pyridin-4-ylmethyl)phthalazin-1-amine;methane

C22H23ClN4 — CID 159919598

IUPACN-(4-chlorophenyl)-4-(pyridin-4-ylmethyl)phthalazin-1-amine;methane
SMILESC.C.Clc1ccc(Nc2nnc(Cc3ccncc3)c3ccccc23)cc1
InChIInChI=1S/C20H15ClN4.2CH4/c21-15-5-7-16(8-6-15)23-20-18-4-2-1-3-17(18)19(24-25-20)13-14-9-11-22-12-10-14;;/h1-12H,13H2,(H,23,25);2*1H4
InChIKeyNYFLZXSUIDUPOA-UHFFFAOYSA-N
MW378.91 g/mol
LogP6.28
Rot. Bonds4

About N-(4-chlorophenyl)-4-(pyridin-4-ylmethyl)phthalazin-1-amine;methane

N-(4-chlorophenyl)-4-(pyridin-4-ylmethyl)phthalazin-1-amine;methane (PubChem CID 159919598) has the molecular formula C22H23ClN4 and a molecular weight of 378.91 g/mol. Its IUPAC name is N-(4-chlorophenyl)-4-(pyridin-4-ylmethyl)phthalazin-1-amine;methane.

Molecular Properties

Compound NameN-(4-chlorophenyl)-4-(pyridin-4-ylmethyl)phthalazin-1-amine;methane
PubChem CID159919598
Molecular FormulaC22H23ClN4
Molecular Weight378.91 g/mol
Exact Mass378.16
IUPAC NameN-(4-chlorophenyl)-4-(pyridin-4-ylmethyl)phthalazin-1-amine;methane
SMILESC.C.Clc1ccc(Nc2nnc(Cc3ccncc3)c3ccccc23)cc1
InChIInChI=1S/C20H15ClN4.2CH4/c21-15-5-7-16(8-6-15)23-20-18-4-2-1-3-17(18)19(24-25-20)13-14-9-11-22-12-10-14;;/h1-12H,13H2,(H,23,25);2*1H4
InChIKeyNYFLZXSUIDUPOA-UHFFFAOYSA-N
XLogP6.28
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.91
LogP ≤ 56.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-chlorophenyl)-4-(pyridin-4-ylmethyl)phthalazin-1-amine;methanesulfonic acid
CID 71584923
azanium;N-(4-chlorophenyl)-4-(pyridin-4-ylmethyl)phthalazin-1-amine;pentanedioic acid
CID 15604672
N-(3-chloro-4-fluorophenyl)-4-(pyridin-4-ylmethyl)phthalazin-1-amine;ethane
CID 91595451
1-N-(4-chlorophenyl)-4-(pyridin-4-ylmethyl)phthalazine-1,7-diamine
CID 6419378
N-(4-chlorophenyl)-8-methyl-4-(pyridin-4-ylmethyl)phthalazin-1-amine
CID 102369950
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-(4-chloroanilino)-1-(pyridin-4-ylmethyl)phthalazin-6-yl]acetamide
CID 22741999
N-(4-fluorophenyl)-4-(pyridin-3-ylmethyl)phthalazin-1-amine
CID 53298155
N-[4-(pyridin-4-ylmethyl)phthalazin-1-yl]-1,3-benzoxazol-2-amine
CID 155312648
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-[4-(4-chloroanilino)phthalazin-1-yl]-3-pyridin-4-ylpropyl] benzoate
CID 90960746

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-4-(pyridin-4-ylmethyl)phthalazin-1-amine;methane?
The IUPAC name of N-(4-chlorophenyl)-4-(pyridin-4-ylmethyl)phthalazin-1-amine;methane (CID 159919598) is N-(4-chlorophenyl)-4-(pyridin-4-ylmethyl)phthalazin-1-amine;methane.
What is the SMILES notation for N-(4-chlorophenyl)-4-(pyridin-4-ylmethyl)phthalazin-1-amine;methane?
The canonical SMILES for N-(4-chlorophenyl)-4-(pyridin-4-ylmethyl)phthalazin-1-amine;methane is C.C.Clc1ccc(Nc2nnc(Cc3ccncc3)c3ccccc23)cc1.
What is the InChIKey of N-(4-chlorophenyl)-4-(pyridin-4-ylmethyl)phthalazin-1-amine;methane?
The InChIKey is NYFLZXSUIDUPOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClN4.2CH4/c21-15-5-7-16(8-6-15)23-20-18-4-2-1-3-17(18)19(24-25-20)13-14-9-11-22-12-10-14;;/h1-12H,13H2,(H,23,25);2*1H4.
What are the key properties of N-(4-chlorophenyl)-4-(pyridin-4-ylmethyl)phthalazin-1-amine;methane?
N-(4-chlorophenyl)-4-(pyridin-4-ylmethyl)phthalazin-1-amine;methane has a molecular weight of 378.91 g/mol, XLogP of 6.28, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-4-(pyridin-4-ylmethyl)phthalazin-1-amine;methane is sourced from PubChem (CID 159919598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).