4-hydroxy-N-[4-(pyridin-4-ylmethyl)phthalazin-1-yl]benzamide

C21H16N4O2 — CID 174484534

IUPAC4-hydroxy-N-[4-(pyridin-4-ylmethyl)phthalazin-1-yl]benzamide
SMILESO=C(Nc1nnc(Cc2ccncc2)c2ccccc12)c1ccc(O)cc1
InChIInChI=1S/C21H16N4O2/c26-16-7-5-15(6-8-16)21(27)23-20-18-4-2-1-3-17(18)19(24-25-20)13-14-9-11-22-12-10-14/h1-12,26H,13H2,(H,23,25,27)
InChIKeyHCLJPSNQEBNSFL-UHFFFAOYSA-N
MW356.39 g/mol
LogP3.57
Rot. Bonds4

About 4-hydroxy-N-[4-(pyridin-4-ylmethyl)phthalazin-1-yl]benzamide

4-hydroxy-N-[4-(pyridin-4-ylmethyl)phthalazin-1-yl]benzamide (PubChem CID 174484534) has the molecular formula C21H16N4O2 and a molecular weight of 356.39 g/mol. Its IUPAC name is 4-hydroxy-N-[4-(pyridin-4-ylmethyl)phthalazin-1-yl]benzamide.

Molecular Properties

Compound Name4-hydroxy-N-[4-(pyridin-4-ylmethyl)phthalazin-1-yl]benzamide
PubChem CID174484534
Molecular FormulaC21H16N4O2
Molecular Weight356.39 g/mol
Exact Mass356.13
IUPAC Name4-hydroxy-N-[4-(pyridin-4-ylmethyl)phthalazin-1-yl]benzamide
SMILESO=C(Nc1nnc(Cc2ccncc2)c2ccccc12)c1ccc(O)cc1
InChIInChI=1S/C21H16N4O2/c26-16-7-5-15(6-8-16)21(27)23-20-18-4-2-1-3-17(18)19(24-25-20)13-14-9-11-22-12-10-14/h1-12,26H,13H2,(H,23,25,27)
InChIKeyHCLJPSNQEBNSFL-UHFFFAOYSA-N
XLogP3.57
TPSA88.00 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.39
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-methoxy-N-[4-(pyridin-4-ylmethyl)phthalazin-1-yl]benzamide
CID 151671249
N-[4-[[4-(pyridin-4-ylmethyl)phthalazin-1-yl]amino]phenyl]acetamide
CID 22741957
N-(4-chlorophenyl)-4-(pyridin-4-ylmethyl)phthalazin-1-amine;methane
CID 159919598
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-[4-(pyridin-4-ylmethyl)phthalazin-1-yl]-1,3-benzoxazol-2-amine
CID 155312648
2-[(4-hydroxybenzoyl)amino]-N-methylpyridine-3-carboxamide
CID 13072444
N-(3-hydroxy-2-pyridinyl)pyridine-4-carboxamide
CID 30160671
N-(3-anilinophenyl)-4-(pyridin-4-ylmethyl)benzamide
CID 168823701
N-[4-(4-chloroanilino)-1-(pyridin-4-ylmethyl)phthalazin-6-yl]acetamide
CID 22741999
N'-[4-(pyridin-4-ylmethyl)phthalazin-1-yl]-N-[3-(trifluoromethyl)phenyl]ethane-1,2-diamine
CID 135268190
N-(2-hydroxyphenyl)-4-(pyridin-4-ylmethoxy)benzamide
CID 34954288

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-[4-(pyridin-4-ylmethyl)phthalazin-1-yl]benzamide?
The IUPAC name of 4-hydroxy-N-[4-(pyridin-4-ylmethyl)phthalazin-1-yl]benzamide (CID 174484534) is 4-hydroxy-N-[4-(pyridin-4-ylmethyl)phthalazin-1-yl]benzamide.
What is the SMILES notation for 4-hydroxy-N-[4-(pyridin-4-ylmethyl)phthalazin-1-yl]benzamide?
The canonical SMILES for 4-hydroxy-N-[4-(pyridin-4-ylmethyl)phthalazin-1-yl]benzamide is O=C(Nc1nnc(Cc2ccncc2)c2ccccc12)c1ccc(O)cc1.
What is the InChIKey of 4-hydroxy-N-[4-(pyridin-4-ylmethyl)phthalazin-1-yl]benzamide?
The InChIKey is HCLJPSNQEBNSFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N4O2/c26-16-7-5-15(6-8-16)21(27)23-20-18-4-2-1-3-17(18)19(24-25-20)13-14-9-11-22-12-10-14/h1-12,26H,13H2,(H,23,25,27).
What are the key properties of 4-hydroxy-N-[4-(pyridin-4-ylmethyl)phthalazin-1-yl]benzamide?
4-hydroxy-N-[4-(pyridin-4-ylmethyl)phthalazin-1-yl]benzamide has a molecular weight of 356.39 g/mol, XLogP of 3.57, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N-[4-(pyridin-4-ylmethyl)phthalazin-1-yl]benzamide is sourced from PubChem (CID 174484534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).