N-methyl-N-[2-[10,15,20-tris[2-[methyl(pyridine-3-carbonyl)amino]phenyl]-21,22,23,24-tetrahydroporphyrin-5-yl]phenyl]pyridine-3-carboxamide

C72H56N12O4 — CID 54134460

IUPACN-methyl-N-[2-[10,15,20-tris[2-[methyl(pyridine-3-carbonyl)amino]phenyl]-21,22,23,24-tetrahydroporphyrin-5-yl]phenyl]pyridine-3-carboxamide
SMILESCN(C(=O)c1cccnc1)c1ccccc1C1=c2ccc([nH]2)=C(c2ccccc2N(C)C(=O)c2cccnc2)c2ccc([nH]2)C(c2ccccc2N(C)C(=O)c2cccnc2)=c2ccc([nH]2)=C(c2ccccc2N(C)C(=O)c2cccnc2)c2ccc1[nH]2
InChIInChI=1S/C72H56N12O4/c1-81(69(85)45-17-13-37-73-41-45)61-25-9-5-21-49(61)65-53-29-31-55(77-53)66(50-22-6-10-26-62(50)82(2)70(86)46-18-14-38-74-42-46)57-33-35-59(79-57)68(52-24-8-12-28-64(52)84(4)72(88)48-20-16-40-76-44-48)60-36-34-58(80-60)67(56-32-30-54(65)78-56)51-23-7-11-27-63(51)83(3)71(87)47-19-15-39-75-43-47/h5-44,77-80H,1-4H3
InChIKeyQMHPBKXWNKIAMF-UHFFFAOYSA-N
MW1153.32 g/mol
LogP8.99
Rot. Bonds12

About N-methyl-N-[2-[10,15,20-tris[2-[methyl(pyridine-3-carbonyl)amino]phenyl]-21,22,23,24-tetrahydroporphyrin-5-yl]phenyl]pyridine-3-carboxamide

N-methyl-N-[2-[10,15,20-tris[2-[methyl(pyridine-3-carbonyl)amino]phenyl]-21,22,23,24-tetrahydroporphyrin-5-yl]phenyl]pyridine-3-carboxamide (PubChem CID 54134460) has the molecular formula C72H56N12O4 and a molecular weight of 1153.32 g/mol. Its IUPAC name is N-methyl-N-[2-[10,15,20-tris[2-[methyl(pyridine-3-carbonyl)amino]phenyl]-21,22,23,24-tetrahydroporphyrin-5-yl]phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[2-[10,15,20-tris[2-[methyl(pyridine-3-carbonyl)amino]phenyl]-21,22,23,24-tetrahydroporphyrin-5-yl]phenyl]pyridine-3-carboxamide
PubChem CID54134460
Molecular FormulaC72H56N12O4
Molecular Weight1153.32 g/mol
Exact Mass1152.45
IUPAC NameN-methyl-N-[2-[10,15,20-tris[2-[methyl(pyridine-3-carbonyl)amino]phenyl]-21,22,23,24-tetrahydroporphyrin-5-yl]phenyl]pyridine-3-carboxamide
SMILESCN(C(=O)c1cccnc1)c1ccccc1C1=c2ccc([nH]2)=C(c2ccccc2N(C)C(=O)c2cccnc2)c2ccc([nH]2)C(c2ccccc2N(C)C(=O)c2cccnc2)=c2ccc([nH]2)=C(c2ccccc2N(C)C(=O)c2cccnc2)c2ccc1[nH]2
InChIInChI=1S/C72H56N12O4/c1-81(69(85)45-17-13-37-73-41-45)61-25-9-5-21-49(61)65-53-29-31-55(77-53)66(50-22-6-10-26-62(50)82(2)70(86)46-18-14-38-74-42-46)57-33-35-59(79-57)68(52-24-8-12-28-64(52)84(4)72(88)48-20-16-40-76-44-48)60-36-34-58(80-60)67(56-32-30-54(65)78-56)51-23-7-11-27-63(51)83(3)71(87)47-19-15-39-75-43-47/h5-44,77-80H,1-4H3
InChIKeyQMHPBKXWNKIAMF-UHFFFAOYSA-N
XLogP8.99
TPSA195.96 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms88
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001153.32
LogP ≤ 58.99
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-[10,15,20-tris[2-[methyl(pyridine-3-carbonyl)amino]phenyl]-21,22,23,24-tetrahydroporphyrin-5-yl]phenyl]pyridine-3-carboxamide?
The IUPAC name of N-methyl-N-[2-[10,15,20-tris[2-[methyl(pyridine-3-carbonyl)amino]phenyl]-21,22,23,24-tetrahydroporphyrin-5-yl]phenyl]pyridine-3-carboxamide (CID 54134460) is N-methyl-N-[2-[10,15,20-tris[2-[methyl(pyridine-3-carbonyl)amino]phenyl]-21,22,23,24-tetrahydroporphyrin-5-yl]phenyl]pyridine-3-carboxamide.
What is the SMILES notation for N-methyl-N-[2-[10,15,20-tris[2-[methyl(pyridine-3-carbonyl)amino]phenyl]-21,22,23,24-tetrahydroporphyrin-5-yl]phenyl]pyridine-3-carboxamide?
The canonical SMILES for N-methyl-N-[2-[10,15,20-tris[2-[methyl(pyridine-3-carbonyl)amino]phenyl]-21,22,23,24-tetrahydroporphyrin-5-yl]phenyl]pyridine-3-carboxamide is CN(C(=O)c1cccnc1)c1ccccc1C1=c2ccc([nH]2)=C(c2ccccc2N(C)C(=O)c2cccnc2)c2ccc([nH]2)C(c2ccccc2N(C)C(=O)c2cccnc2)=c2ccc([nH]2)=C(c2ccccc2N(C)C(=O)c2cccnc2)c2ccc1[nH]2.
What is the InChIKey of N-methyl-N-[2-[10,15,20-tris[2-[methyl(pyridine-3-carbonyl)amino]phenyl]-21,22,23,24-tetrahydroporphyrin-5-yl]phenyl]pyridine-3-carboxamide?
The InChIKey is QMHPBKXWNKIAMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C72H56N12O4/c1-81(69(85)45-17-13-37-73-41-45)61-25-9-5-21-49(61)65-53-29-31-55(77-53)66(50-22-6-10-26-62(50)82(2)70(86)46-18-14-38-74-42-46)57-33-35-59(79-57)68(52-24-8-12-28-64(52)84(4)72(88)48-20-16-40-76-44-48)60-36-34-58(80-60)67(56-32-30-54(65)78-56)51-23-7-11-27-63(51)83(3)71(87)47-19-15-39-75-43-47/h5-44,77-80H,1-4H3.
What are the key properties of N-methyl-N-[2-[10,15,20-tris[2-[methyl(pyridine-3-carbonyl)amino]phenyl]-21,22,23,24-tetrahydroporphyrin-5-yl]phenyl]pyridine-3-carboxamide?
N-methyl-N-[2-[10,15,20-tris[2-[methyl(pyridine-3-carbonyl)amino]phenyl]-21,22,23,24-tetrahydroporphyrin-5-yl]phenyl]pyridine-3-carboxamide has a molecular weight of 1153.32 g/mol, XLogP of 8.99, 12 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-[10,15,20-tris[2-[methyl(pyridine-3-carbonyl)amino]phenyl]-21,22,23,24-tetrahydroporphyrin-5-yl]phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 54134460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).