N-[2-(4-methoxyanilino)-3-pyridinyl]-2-(3,4,5-trimethoxyanilino)pyridine-3-carboxamide

C27H27N5O5 — CID 118724063

IUPACN-[2-(4-methoxyanilino)-3-pyridinyl]-2-(3,4,5-trimethoxyanilino)pyridine-3-carboxamide
SMILESCOc1ccc(Nc2ncccc2NC(=O)c2cccnc2Nc2cc(OC)c(OC)c(OC)c2)cc1
InChIInChI=1S/C27H27N5O5/c1-34-19-11-9-17(10-12-19)30-26-21(8-6-14-29-26)32-27(33)20-7-5-13-28-25(20)31-18-15-22(35-2)24(37-4)23(16-18)36-3/h5-16H,1-4H3,(H,28,31)(H,29,30)(H,32,33)
InChIKeyJMVZRCXUTLKDBY-UHFFFAOYSA-N
MW501.54 g/mol
LogP5.25
Rot. Bonds10

About N-[2-(4-methoxyanilino)-3-pyridinyl]-2-(3,4,5-trimethoxyanilino)pyridine-3-carboxamide

N-[2-(4-methoxyanilino)-3-pyridinyl]-2-(3,4,5-trimethoxyanilino)pyridine-3-carboxamide (PubChem CID 118724063) has the molecular formula C27H27N5O5 and a molecular weight of 501.54 g/mol. Its IUPAC name is N-[2-(4-methoxyanilino)-3-pyridinyl]-2-(3,4,5-trimethoxyanilino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(4-methoxyanilino)-3-pyridinyl]-2-(3,4,5-trimethoxyanilino)pyridine-3-carboxamide
PubChem CID118724063
Molecular FormulaC27H27N5O5
Molecular Weight501.54 g/mol
Exact Mass501.20
IUPAC NameN-[2-(4-methoxyanilino)-3-pyridinyl]-2-(3,4,5-trimethoxyanilino)pyridine-3-carboxamide
SMILESCOc1ccc(Nc2ncccc2NC(=O)c2cccnc2Nc2cc(OC)c(OC)c(OC)c2)cc1
InChIInChI=1S/C27H27N5O5/c1-34-19-11-9-17(10-12-19)30-26-21(8-6-14-29-26)32-27(33)20-7-5-13-28-25(20)31-18-15-22(35-2)24(37-4)23(16-18)36-3/h5-16H,1-4H3,(H,28,31)(H,29,30)(H,32,33)
InChIKeyJMVZRCXUTLKDBY-UHFFFAOYSA-N
XLogP5.25
TPSA115.86 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500501.54
LogP ≤ 55.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Related Compounds

4-methoxy-N-[2-(3,4,5-trimethoxyanilino)-3-pyridinyl]benzenesulfonamide
CID 15293874
N-(3,4-dichlorophenyl)-2-(4-methoxyanilino)pyridine-3-carboxamide
CID 23632726
1-(2-anilino-3-pyridinyl)-3-[2-(3,4,5-trimethoxyanilino)-3-pyridinyl]prop-2-en-1-one
CID 154059881
N-(2-anilino-3-pyridinyl)-2-(4-fluoroanilino)pyridine-3-carboxamide
CID 118724324
N-(2-bromophenyl)-2-(3-methoxyanilino)pyridine-3-carboxamide
CID 23632783
N-[2-(4-methoxyanilino)-5-(3,4,5-trimethoxyphenyl)-3-pyridinyl]benzamide
CID 156631193
2-[4-(6,7-dimethoxyquinolin-4-yl)oxyanilino]-N-phenylpyridine-3-carboxamide
CID 24966402
N-(3,4-dichlorophenyl)-2-(2-methoxyanilino)pyridine-3-carboxamide
CID 23632728
N-(4-chlorophenyl)-2-(2-methoxyanilino)pyridine-3-carboxamide
CID 23632593
2-(4-methoxyanilino)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)pyridine-3-carboxamide
CID 46978469
N-(6-fluoro-1,3-benzothiazol-2-yl)-2-(4-methoxyanilino)pyridine-3-carboxamide
CID 54612749
2-(2,6-dimethylanilino)-N-(2-methoxyphenyl)pyridine-3-carboxamide
CID 23632545

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyanilino)-3-pyridinyl]-2-(3,4,5-trimethoxyanilino)pyridine-3-carboxamide?
The IUPAC name of N-[2-(4-methoxyanilino)-3-pyridinyl]-2-(3,4,5-trimethoxyanilino)pyridine-3-carboxamide (CID 118724063) is N-[2-(4-methoxyanilino)-3-pyridinyl]-2-(3,4,5-trimethoxyanilino)pyridine-3-carboxamide.
What is the SMILES notation for N-[2-(4-methoxyanilino)-3-pyridinyl]-2-(3,4,5-trimethoxyanilino)pyridine-3-carboxamide?
The canonical SMILES for N-[2-(4-methoxyanilino)-3-pyridinyl]-2-(3,4,5-trimethoxyanilino)pyridine-3-carboxamide is COc1ccc(Nc2ncccc2NC(=O)c2cccnc2Nc2cc(OC)c(OC)c(OC)c2)cc1.
What is the InChIKey of N-[2-(4-methoxyanilino)-3-pyridinyl]-2-(3,4,5-trimethoxyanilino)pyridine-3-carboxamide?
The InChIKey is JMVZRCXUTLKDBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N5O5/c1-34-19-11-9-17(10-12-19)30-26-21(8-6-14-29-26)32-27(33)20-7-5-13-28-25(20)31-18-15-22(35-2)24(37-4)23(16-18)36-3/h5-16H,1-4H3,(H,28,31)(H,29,30)(H,32,33).
What are the key properties of N-[2-(4-methoxyanilino)-3-pyridinyl]-2-(3,4,5-trimethoxyanilino)pyridine-3-carboxamide?
N-[2-(4-methoxyanilino)-3-pyridinyl]-2-(3,4,5-trimethoxyanilino)pyridine-3-carboxamide has a molecular weight of 501.54 g/mol, XLogP of 5.25, 10 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyanilino)-3-pyridinyl]-2-(3,4,5-trimethoxyanilino)pyridine-3-carboxamide is sourced from PubChem (CID 118724063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).