N-(4-methoxyphenyl)-2-[7-[[3-[(4-methoxyphenyl)carbamoyl]-2-pyridinyl]amino]heptyl]pyridine-3-carboxamide

C33H37N5O4 — CID 158018485

IUPACN-(4-methoxyphenyl)-2-[7-[[3-[(4-methoxyphenyl)carbamoyl]-2-pyridinyl]amino]heptyl]pyridine-3-carboxamide
SMILESCOc1ccc(NC(=O)c2cccnc2CCCCCCCNc2ncccc2C(=O)Nc2ccc(OC)cc2)cc1
InChIInChI=1S/C33H37N5O4/c1-41-26-17-13-24(14-18-26)37-32(39)28-10-8-22-34-30(28)12-6-4-3-5-7-21-35-31-29(11-9-23-36-31)33(40)38-25-15-19-27(42-2)20-16-25/h8-11,13-20,22-23H,3-7,12,21H2,1-2H3,(H,35,36)(H,37,39)(H,38,40)
InChIKeyFFTQXNRBZSLRIT-UHFFFAOYSA-N
MW567.69 g/mol
LogP6.60
Rot. Bonds15

About N-(4-methoxyphenyl)-2-[7-[[3-[(4-methoxyphenyl)carbamoyl]-2-pyridinyl]amino]heptyl]pyridine-3-carboxamide

N-(4-methoxyphenyl)-2-[7-[[3-[(4-methoxyphenyl)carbamoyl]-2-pyridinyl]amino]heptyl]pyridine-3-carboxamide (PubChem CID 158018485) has the molecular formula C33H37N5O4 and a molecular weight of 567.69 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-2-[7-[[3-[(4-methoxyphenyl)carbamoyl]-2-pyridinyl]amino]heptyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-2-[7-[[3-[(4-methoxyphenyl)carbamoyl]-2-pyridinyl]amino]heptyl]pyridine-3-carboxamide
PubChem CID158018485
Molecular FormulaC33H37N5O4
Molecular Weight567.69 g/mol
Exact Mass567.28
IUPAC NameN-(4-methoxyphenyl)-2-[7-[[3-[(4-methoxyphenyl)carbamoyl]-2-pyridinyl]amino]heptyl]pyridine-3-carboxamide
SMILESCOc1ccc(NC(=O)c2cccnc2CCCCCCCNc2ncccc2C(=O)Nc2ccc(OC)cc2)cc1
InChIInChI=1S/C33H37N5O4/c1-41-26-17-13-24(14-18-26)37-32(39)28-10-8-22-34-30(28)12-6-4-3-5-7-21-35-31-29(11-9-23-36-31)33(40)38-25-15-19-27(42-2)20-16-25/h8-11,13-20,22-23H,3-7,12,21H2,1-2H3,(H,35,36)(H,37,39)(H,38,40)
InChIKeyFFTQXNRBZSLRIT-UHFFFAOYSA-N
XLogP6.60
TPSA114.47 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds15
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500567.69
LogP ≤ 56.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-(3-methoxyphenyl)-2-(propylamino)pyridine-3-carboxamide
CID 62166611
N-(6-methoxy-3-pyridinyl)-2-(propylamino)pyridine-3-carboxamide
CID 62167573
2-(dimethylamino)-N-(4-methoxyphenyl)pyridine-3-carboxamide
CID 38886044
[4-[[2-(methylamino)pyridine-3-carbonyl]amino]phenyl] hypofluorite
CID 142179435
N-(3,4-dichlorophenyl)-2-(4-methoxyanilino)pyridine-3-carboxamide
CID 23632726
2-(3-methoxyanilino)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide
CID 23632895
N-(4-methoxyphenyl)-2-phenoxypyridine-3-carboxamide
CID 24513637
N-(3-bromo-5-methoxyphenyl)-2-(ethylamino)pyridine-3-carboxamide
CID 82861112
N-(4-phenoxyphenyl)-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide;hydrochloride
CID 22249212
N-(2-chloro-3-pyridinyl)-2-[(4-methoxyphenyl)methylamino]pyridine-3-carboxamide
CID 3320057
N-[4-(4-hydroxybutyl)phenyl]-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide
CID 10270887
2-[(2-methoxyphenyl)methylamino]-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 23632370

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-2-[7-[[3-[(4-methoxyphenyl)carbamoyl]-2-pyridinyl]amino]heptyl]pyridine-3-carboxamide?
The IUPAC name of N-(4-methoxyphenyl)-2-[7-[[3-[(4-methoxyphenyl)carbamoyl]-2-pyridinyl]amino]heptyl]pyridine-3-carboxamide (CID 158018485) is N-(4-methoxyphenyl)-2-[7-[[3-[(4-methoxyphenyl)carbamoyl]-2-pyridinyl]amino]heptyl]pyridine-3-carboxamide.
What is the SMILES notation for N-(4-methoxyphenyl)-2-[7-[[3-[(4-methoxyphenyl)carbamoyl]-2-pyridinyl]amino]heptyl]pyridine-3-carboxamide?
The canonical SMILES for N-(4-methoxyphenyl)-2-[7-[[3-[(4-methoxyphenyl)carbamoyl]-2-pyridinyl]amino]heptyl]pyridine-3-carboxamide is COc1ccc(NC(=O)c2cccnc2CCCCCCCNc2ncccc2C(=O)Nc2ccc(OC)cc2)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-2-[7-[[3-[(4-methoxyphenyl)carbamoyl]-2-pyridinyl]amino]heptyl]pyridine-3-carboxamide?
The InChIKey is FFTQXNRBZSLRIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H37N5O4/c1-41-26-17-13-24(14-18-26)37-32(39)28-10-8-22-34-30(28)12-6-4-3-5-7-21-35-31-29(11-9-23-36-31)33(40)38-25-15-19-27(42-2)20-16-25/h8-11,13-20,22-23H,3-7,12,21H2,1-2H3,(H,35,36)(H,37,39)(H,38,40).
What are the key properties of N-(4-methoxyphenyl)-2-[7-[[3-[(4-methoxyphenyl)carbamoyl]-2-pyridinyl]amino]heptyl]pyridine-3-carboxamide?
N-(4-methoxyphenyl)-2-[7-[[3-[(4-methoxyphenyl)carbamoyl]-2-pyridinyl]amino]heptyl]pyridine-3-carboxamide has a molecular weight of 567.69 g/mol, XLogP of 6.60, 15 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-2-[7-[[3-[(4-methoxyphenyl)carbamoyl]-2-pyridinyl]amino]heptyl]pyridine-3-carboxamide is sourced from PubChem (CID 158018485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).