N-[4-(10,15,20-tripyridin-3-yl-21,22,23,24-tetrahydroporphyrin-5-yl)phenyl]acetamide

C43H32N8O — CID 91485582

IUPACN-[4-(10,15,20-tripyridin-3-yl-21,22,23,24-tetrahydroporphyrin-5-yl)phenyl]acetamide
SMILESCC(=O)Nc1ccc(C2=c3ccc([nH]3)=C(c3cccnc3)c3ccc([nH]3)C(c3cccnc3)=c3ccc([nH]3)=C(c3cccnc3)c3ccc2[nH]3)cc1
InChIInChI=1S/C43H32N8O/c1-26(52)47-31-10-8-27(9-11-31)40-32-12-14-34(48-32)41(28-5-2-20-44-23-28)36-16-18-38(50-36)43(30-7-4-22-46-25-30)39-19-17-37(51-39)42(29-6-3-21-45-24-29)35-15-13-33(40)49-35/h2-25,48-51H,1H3,(H,47,52)
InChIKeyULSBMWGTUAQROQ-UHFFFAOYSA-N
MW676.78 g/mol
LogP4.45
Rot. Bonds5

About N-[4-(10,15,20-tripyridin-3-yl-21,22,23,24-tetrahydroporphyrin-5-yl)phenyl]acetamide

N-[4-(10,15,20-tripyridin-3-yl-21,22,23,24-tetrahydroporphyrin-5-yl)phenyl]acetamide (PubChem CID 91485582) has the molecular formula C43H32N8O and a molecular weight of 676.78 g/mol. Its IUPAC name is N-[4-(10,15,20-tripyridin-3-yl-21,22,23,24-tetrahydroporphyrin-5-yl)phenyl]acetamide.

Molecular Properties

Compound NameN-[4-(10,15,20-tripyridin-3-yl-21,22,23,24-tetrahydroporphyrin-5-yl)phenyl]acetamide
PubChem CID91485582
Molecular FormulaC43H32N8O
Molecular Weight676.78 g/mol
Exact Mass676.27
IUPAC NameN-[4-(10,15,20-tripyridin-3-yl-21,22,23,24-tetrahydroporphyrin-5-yl)phenyl]acetamide
SMILESCC(=O)Nc1ccc(C2=c3ccc([nH]3)=C(c3cccnc3)c3ccc([nH]3)C(c3cccnc3)=c3ccc([nH]3)=C(c3cccnc3)c3ccc2[nH]3)cc1
InChIInChI=1S/C43H32N8O/c1-26(52)47-31-10-8-27(9-11-31)40-32-12-14-34(48-32)41(28-5-2-20-44-23-28)36-16-18-38(50-36)43(30-7-4-22-46-25-30)39-19-17-37(51-39)42(29-6-3-21-45-24-29)35-15-13-33(40)49-35/h2-25,48-51H,1H3,(H,47,52)
InChIKeyULSBMWGTUAQROQ-UHFFFAOYSA-N
XLogP4.45
TPSA130.93 Ų
H-Bond Donors5
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms52
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500676.78
LogP ≤ 54.45
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 104

Analyze N-[4-(10,15,20-tripyridin-3-yl-21,22,23,24-tetrahydroporphyrin-5-yl)phenyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(4-methylphenyl)-10-phenyl-15,20-dipyridin-3-yl-21,22,23,24-tetrahydroporphyrin
CID 90850065
N-(4-trimethoxysilylphenyl)-4-(10,15,20-triphenyl-21,22,23,24-tetrahydroporphyrin-5-yl)benzamide
CID 123608768
N-[4-methyl-3-[(5-pyridin-3-yl-1H-imidazol-2-yl)amino]phenyl]acetamide
CID 24971059
N-(5-pyridin-3-yl-1H-pyrazol-3-yl)acetamide
CID 137321038
N-(4-acetamidophenyl)pyridine-3-carboxamide
CID 766053
iron(3+);5,10,15,20-tetraphenyl-21,22,23,24-tetrahydroporphyrin;trichloride
CID 159454747
N-(4-phenylphenyl)acetamide
CID 19998
1-(4-methylphenyl)-3-pyridin-3-ylurea
CID 790714
N-[4-[3-[3-[5-(4-acetamidophenyl)-1H-pyrazol-3-yl]phenyl]-1H-pyrazol-5-yl]phenyl]acetamide
CID 118529604
N-(6-pyridin-3-ylcinnolin-3-yl)acetamide
CID 154592116
1-pyridin-3-yl-3-[4-[4-(pyridin-3-ylcarbamoylamino)phenyl]phenyl]urea
CID 23996528
4-acetamido-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)benzamide
CID 2463732

Frequently Asked Questions

What is the IUPAC name of N-[4-(10,15,20-tripyridin-3-yl-21,22,23,24-tetrahydroporphyrin-5-yl)phenyl]acetamide?
The IUPAC name of N-[4-(10,15,20-tripyridin-3-yl-21,22,23,24-tetrahydroporphyrin-5-yl)phenyl]acetamide (CID 91485582) is N-[4-(10,15,20-tripyridin-3-yl-21,22,23,24-tetrahydroporphyrin-5-yl)phenyl]acetamide.
What is the SMILES notation for N-[4-(10,15,20-tripyridin-3-yl-21,22,23,24-tetrahydroporphyrin-5-yl)phenyl]acetamide?
The canonical SMILES for N-[4-(10,15,20-tripyridin-3-yl-21,22,23,24-tetrahydroporphyrin-5-yl)phenyl]acetamide is CC(=O)Nc1ccc(C2=c3ccc([nH]3)=C(c3cccnc3)c3ccc([nH]3)C(c3cccnc3)=c3ccc([nH]3)=C(c3cccnc3)c3ccc2[nH]3)cc1.
What is the InChIKey of N-[4-(10,15,20-tripyridin-3-yl-21,22,23,24-tetrahydroporphyrin-5-yl)phenyl]acetamide?
The InChIKey is ULSBMWGTUAQROQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H32N8O/c1-26(52)47-31-10-8-27(9-11-31)40-32-12-14-34(48-32)41(28-5-2-20-44-23-28)36-16-18-38(50-36)43(30-7-4-22-46-25-30)39-19-17-37(51-39)42(29-6-3-21-45-24-29)35-15-13-33(40)49-35/h2-25,48-51H,1H3,(H,47,52).
What are the key properties of N-[4-(10,15,20-tripyridin-3-yl-21,22,23,24-tetrahydroporphyrin-5-yl)phenyl]acetamide?
N-[4-(10,15,20-tripyridin-3-yl-21,22,23,24-tetrahydroporphyrin-5-yl)phenyl]acetamide has a molecular weight of 676.78 g/mol, XLogP of 4.45, 5 rotatable bonds, 5 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(10,15,20-tripyridin-3-yl-21,22,23,24-tetrahydroporphyrin-5-yl)phenyl]acetamide is sourced from PubChem (CID 91485582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).