N-(2-aminophenyl)-6-[(3,4,5-trimethoxyphenyl)methylamino]pyridine-3-carboxamide

C22H24N4O4 — CID 10201496

IUPACN-(2-aminophenyl)-6-[(3,4,5-trimethoxyphenyl)methylamino]pyridine-3-carboxamide
SMILESCOc1cc(CNc2ccc(C(=O)Nc3ccccc3N)cn2)cc(OC)c1OC
InChIInChI=1S/C22H24N4O4/c1-28-18-10-14(11-19(29-2)21(18)30-3)12-24-20-9-8-15(13-25-20)22(27)26-17-7-5-4-6-16(17)23/h4-11,13H,12,23H2,1-3H3,(H,24,25)(H,26,27)
InChIKeyLAEIBZQXVYDLIO-UHFFFAOYSA-N
MW408.46 g/mol
LogP3.55
Rot. Bonds8

About N-(2-aminophenyl)-6-[(3,4,5-trimethoxyphenyl)methylamino]pyridine-3-carboxamide

N-(2-aminophenyl)-6-[(3,4,5-trimethoxyphenyl)methylamino]pyridine-3-carboxamide (PubChem CID 10201496) has the molecular formula C22H24N4O4 and a molecular weight of 408.46 g/mol. Its IUPAC name is N-(2-aminophenyl)-6-[(3,4,5-trimethoxyphenyl)methylamino]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-aminophenyl)-6-[(3,4,5-trimethoxyphenyl)methylamino]pyridine-3-carboxamide
PubChem CID10201496
Molecular FormulaC22H24N4O4
Molecular Weight408.46 g/mol
Exact Mass408.18
IUPAC NameN-(2-aminophenyl)-6-[(3,4,5-trimethoxyphenyl)methylamino]pyridine-3-carboxamide
SMILESCOc1cc(CNc2ccc(C(=O)Nc3ccccc3N)cn2)cc(OC)c1OC
InChIInChI=1S/C22H24N4O4/c1-28-18-10-14(11-19(29-2)21(18)30-3)12-24-20-9-8-15(13-25-20)22(27)26-17-7-5-4-6-16(17)23/h4-11,13H,12,23H2,1-3H3,(H,24,25)(H,26,27)
InChIKeyLAEIBZQXVYDLIO-UHFFFAOYSA-N
XLogP3.55
TPSA107.73 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.46
LogP ≤ 53.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-6-[(3,4,5-trimethoxyphenyl)methylamino]pyridine-3-carboxamide?
The IUPAC name of N-(2-aminophenyl)-6-[(3,4,5-trimethoxyphenyl)methylamino]pyridine-3-carboxamide (CID 10201496) is N-(2-aminophenyl)-6-[(3,4,5-trimethoxyphenyl)methylamino]pyridine-3-carboxamide.
What is the SMILES notation for N-(2-aminophenyl)-6-[(3,4,5-trimethoxyphenyl)methylamino]pyridine-3-carboxamide?
The canonical SMILES for N-(2-aminophenyl)-6-[(3,4,5-trimethoxyphenyl)methylamino]pyridine-3-carboxamide is COc1cc(CNc2ccc(C(=O)Nc3ccccc3N)cn2)cc(OC)c1OC.
What is the InChIKey of N-(2-aminophenyl)-6-[(3,4,5-trimethoxyphenyl)methylamino]pyridine-3-carboxamide?
The InChIKey is LAEIBZQXVYDLIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O4/c1-28-18-10-14(11-19(29-2)21(18)30-3)12-24-20-9-8-15(13-25-20)22(27)26-17-7-5-4-6-16(17)23/h4-11,13H,12,23H2,1-3H3,(H,24,25)(H,26,27).
What are the key properties of N-(2-aminophenyl)-6-[(3,4,5-trimethoxyphenyl)methylamino]pyridine-3-carboxamide?
N-(2-aminophenyl)-6-[(3,4,5-trimethoxyphenyl)methylamino]pyridine-3-carboxamide has a molecular weight of 408.46 g/mol, XLogP of 3.55, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminophenyl)-6-[(3,4,5-trimethoxyphenyl)methylamino]pyridine-3-carboxamide is sourced from PubChem (CID 10201496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).