N-[3,5-bis[[6-(4-pentylphenyl)pyridine-3-carbonyl]amino]phenyl]-6-(4-pentylphenyl)pyridine-3-carboxamide

C57H60N6O3 — CID 140904471

IUPACN-[3,5-bis[[6-(4-pentylphenyl)pyridine-3-carbonyl]amino]phenyl]-6-(4-pentylphenyl)pyridine-3-carboxamide
SMILESCCCCCc1ccc(-c2ccc(C(=O)Nc3cc(NC(=O)c4ccc(-c5ccc(CCCCC)cc5)nc4)cc(NC(=O)c4ccc(-c5ccc(CCCCC)cc5)nc4)c3)cn2)cc1
InChIInChI=1S/C57H60N6O3/c1-4-7-10-13-40-16-22-43(23-17-40)52-31-28-46(37-58-52)55(64)61-49-34-50(62-56(65)47-29-32-53(59-38-47)44-24-18-41(19-25-44)14-11-8-5-2)36-51(35-49)63-57(66)48-30-33-54(60-39-48)45-26-20-42(21-27-45)15-12-9-6-3/h16-39H,4-15H2,1-3H3,(H,61,64)(H,62,65)(H,63,66)
InChIKeyVJXAUUDKCTVDBZ-UHFFFAOYSA-N
MW877.15 g/mol
LogP13.83
Rot. Bonds21

About N-[3,5-bis[[6-(4-pentylphenyl)pyridine-3-carbonyl]amino]phenyl]-6-(4-pentylphenyl)pyridine-3-carboxamide

N-[3,5-bis[[6-(4-pentylphenyl)pyridine-3-carbonyl]amino]phenyl]-6-(4-pentylphenyl)pyridine-3-carboxamide (PubChem CID 140904471) has the molecular formula C57H60N6O3 and a molecular weight of 877.15 g/mol. Its IUPAC name is N-[3,5-bis[[6-(4-pentylphenyl)pyridine-3-carbonyl]amino]phenyl]-6-(4-pentylphenyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3,5-bis[[6-(4-pentylphenyl)pyridine-3-carbonyl]amino]phenyl]-6-(4-pentylphenyl)pyridine-3-carboxamide
PubChem CID140904471
Molecular FormulaC57H60N6O3
Molecular Weight877.15 g/mol
Exact Mass876.47
IUPAC NameN-[3,5-bis[[6-(4-pentylphenyl)pyridine-3-carbonyl]amino]phenyl]-6-(4-pentylphenyl)pyridine-3-carboxamide
SMILESCCCCCc1ccc(-c2ccc(C(=O)Nc3cc(NC(=O)c4ccc(-c5ccc(CCCCC)cc5)nc4)cc(NC(=O)c4ccc(-c5ccc(CCCCC)cc5)nc4)c3)cn2)cc1
InChIInChI=1S/C57H60N6O3/c1-4-7-10-13-40-16-22-43(23-17-40)52-31-28-46(37-58-52)55(64)61-49-34-50(62-56(65)47-29-32-53(59-38-47)44-24-18-41(19-25-44)14-11-8-5-2)36-51(35-49)63-57(66)48-30-33-54(60-39-48)45-26-20-42(21-27-45)15-12-9-6-3/h16-39H,4-15H2,1-3H3,(H,61,64)(H,62,65)(H,63,66)
InChIKeyVJXAUUDKCTVDBZ-UHFFFAOYSA-N
XLogP13.83
TPSA125.97 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds21
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500877.15
LogP ≤ 513.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(4-pentoxyphenyl)-4-(5-pentyl-2-pyridinyl)benzamide
CID 3324314
4-(5-pentyl-2-pyridinyl)-N-quinolin-3-ylbenzamide
CID 5174853
4-(5-pentyl-2-pyridinyl)-N-[3-(trifluoromethyl)phenyl]benzamide
CID 5109793
N-(2,4-dichlorophenyl)-4-(5-pentyl-2-pyridinyl)benzamide
CID 11304509
5-hexyl-2-[6-(4-octylphenyl)-3-pyridinyl]pyridine
CID 139839622
5-heptyl-2-(4-octylphenyl)pyridine
CID 19841858
[4-[6-(4-hexylphenyl)-3-pyridinyl]phenyl]-phenylmethanone
CID 59538564
N-(4-butylphenyl)-6-(2,4-dimethoxyphenyl)pyridine-3-carboxamide
CID 10453002
2-(4-hexylphenyl)-5-[2-(4-pentylphenyl)ethyl]pyridine
CID 19841822
2,5-bis(4-octylphenyl)pyridine
CID 139839621
5-hexyl-2-[4-[2-(4-hexylphenyl)ethyl]phenyl]pyridine
CID 19841812
N-(4-ethylphenyl)-4-pentylbenzamide
CID 142206594

Frequently Asked Questions

What is the IUPAC name of N-[3,5-bis[[6-(4-pentylphenyl)pyridine-3-carbonyl]amino]phenyl]-6-(4-pentylphenyl)pyridine-3-carboxamide?
The IUPAC name of N-[3,5-bis[[6-(4-pentylphenyl)pyridine-3-carbonyl]amino]phenyl]-6-(4-pentylphenyl)pyridine-3-carboxamide (CID 140904471) is N-[3,5-bis[[6-(4-pentylphenyl)pyridine-3-carbonyl]amino]phenyl]-6-(4-pentylphenyl)pyridine-3-carboxamide.
What is the SMILES notation for N-[3,5-bis[[6-(4-pentylphenyl)pyridine-3-carbonyl]amino]phenyl]-6-(4-pentylphenyl)pyridine-3-carboxamide?
The canonical SMILES for N-[3,5-bis[[6-(4-pentylphenyl)pyridine-3-carbonyl]amino]phenyl]-6-(4-pentylphenyl)pyridine-3-carboxamide is CCCCCc1ccc(-c2ccc(C(=O)Nc3cc(NC(=O)c4ccc(-c5ccc(CCCCC)cc5)nc4)cc(NC(=O)c4ccc(-c5ccc(CCCCC)cc5)nc4)c3)cn2)cc1.
What is the InChIKey of N-[3,5-bis[[6-(4-pentylphenyl)pyridine-3-carbonyl]amino]phenyl]-6-(4-pentylphenyl)pyridine-3-carboxamide?
The InChIKey is VJXAUUDKCTVDBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H60N6O3/c1-4-7-10-13-40-16-22-43(23-17-40)52-31-28-46(37-58-52)55(64)61-49-34-50(62-56(65)47-29-32-53(59-38-47)44-24-18-41(19-25-44)14-11-8-5-2)36-51(35-49)63-57(66)48-30-33-54(60-39-48)45-26-20-42(21-27-45)15-12-9-6-3/h16-39H,4-15H2,1-3H3,(H,61,64)(H,62,65)(H,63,66).
What are the key properties of N-[3,5-bis[[6-(4-pentylphenyl)pyridine-3-carbonyl]amino]phenyl]-6-(4-pentylphenyl)pyridine-3-carboxamide?
N-[3,5-bis[[6-(4-pentylphenyl)pyridine-3-carbonyl]amino]phenyl]-6-(4-pentylphenyl)pyridine-3-carboxamide has a molecular weight of 877.15 g/mol, XLogP of 13.83, 21 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3,5-bis[[6-(4-pentylphenyl)pyridine-3-carbonyl]amino]phenyl]-6-(4-pentylphenyl)pyridine-3-carboxamide is sourced from PubChem (CID 140904471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).