N-(2-anilino-3-pyridinyl)-2-(3,4,5-trimethoxyanilino)pyridine-3-carboxamide

C26H25N5O4 — CID 118724326

IUPACN-(2-anilino-3-pyridinyl)-2-(3,4,5-trimethoxyanilino)pyridine-3-carboxamide
SMILESCOc1cc(Nc2ncccc2C(=O)Nc2cccnc2Nc2ccccc2)cc(OC)c1OC
InChIInChI=1S/C26H25N5O4/c1-33-21-15-18(16-22(34-2)23(21)35-3)30-24-19(11-7-13-27-24)26(32)31-20-12-8-14-28-25(20)29-17-9-5-4-6-10-17/h4-16H,1-3H3,(H,27,30)(H,28,29)(H,31,32)
InChIKeyQYSFZOKUZZMTGY-UHFFFAOYSA-N
MW471.52 g/mol
LogP5.24
Rot. Bonds9

About N-(2-anilino-3-pyridinyl)-2-(3,4,5-trimethoxyanilino)pyridine-3-carboxamide

N-(2-anilino-3-pyridinyl)-2-(3,4,5-trimethoxyanilino)pyridine-3-carboxamide (PubChem CID 118724326) has the molecular formula C26H25N5O4 and a molecular weight of 471.52 g/mol. Its IUPAC name is N-(2-anilino-3-pyridinyl)-2-(3,4,5-trimethoxyanilino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-anilino-3-pyridinyl)-2-(3,4,5-trimethoxyanilino)pyridine-3-carboxamide
PubChem CID118724326
Molecular FormulaC26H25N5O4
Molecular Weight471.52 g/mol
Exact Mass471.19
IUPAC NameN-(2-anilino-3-pyridinyl)-2-(3,4,5-trimethoxyanilino)pyridine-3-carboxamide
SMILESCOc1cc(Nc2ncccc2C(=O)Nc2cccnc2Nc2ccccc2)cc(OC)c1OC
InChIInChI=1S/C26H25N5O4/c1-33-21-15-18(16-22(34-2)23(21)35-3)30-24-19(11-7-13-27-24)26(32)31-20-12-8-14-28-25(20)29-17-9-5-4-6-10-17/h4-16H,1-3H3,(H,27,30)(H,28,29)(H,31,32)
InChIKeyQYSFZOKUZZMTGY-UHFFFAOYSA-N
XLogP5.24
TPSA106.63 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.52
LogP ≤ 55.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-(2-anilino-3-pyridinyl)-2-(3,4,5-trimethoxyanilino)pyridine-3-carboxamide?
The IUPAC name of N-(2-anilino-3-pyridinyl)-2-(3,4,5-trimethoxyanilino)pyridine-3-carboxamide (CID 118724326) is N-(2-anilino-3-pyridinyl)-2-(3,4,5-trimethoxyanilino)pyridine-3-carboxamide.
What is the SMILES notation for N-(2-anilino-3-pyridinyl)-2-(3,4,5-trimethoxyanilino)pyridine-3-carboxamide?
The canonical SMILES for N-(2-anilino-3-pyridinyl)-2-(3,4,5-trimethoxyanilino)pyridine-3-carboxamide is COc1cc(Nc2ncccc2C(=O)Nc2cccnc2Nc2ccccc2)cc(OC)c1OC.
What is the InChIKey of N-(2-anilino-3-pyridinyl)-2-(3,4,5-trimethoxyanilino)pyridine-3-carboxamide?
The InChIKey is QYSFZOKUZZMTGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N5O4/c1-33-21-15-18(16-22(34-2)23(21)35-3)30-24-19(11-7-13-27-24)26(32)31-20-12-8-14-28-25(20)29-17-9-5-4-6-10-17/h4-16H,1-3H3,(H,27,30)(H,28,29)(H,31,32).
What are the key properties of N-(2-anilino-3-pyridinyl)-2-(3,4,5-trimethoxyanilino)pyridine-3-carboxamide?
N-(2-anilino-3-pyridinyl)-2-(3,4,5-trimethoxyanilino)pyridine-3-carboxamide has a molecular weight of 471.52 g/mol, XLogP of 5.24, 9 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-anilino-3-pyridinyl)-2-(3,4,5-trimethoxyanilino)pyridine-3-carboxamide is sourced from PubChem (CID 118724326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).