N'-[4-(3-methoxyanilino)-6-(pyridin-2-ylamino)-1,3,5-triazin-2-yl]pyridine-4-carbohydrazide

C21H19N9O2 — CID 71591709

IUPACN'-[4-(3-methoxyanilino)-6-(pyridin-2-ylamino)-1,3,5-triazin-2-yl]pyridine-4-carbohydrazide
SMILESCOc1cccc(Nc2nc(NNC(=O)c3ccncc3)nc(Nc3ccccn3)n2)c1
InChIInChI=1S/C21H19N9O2/c1-32-16-6-4-5-15(13-16)24-19-26-20(25-17-7-2-3-10-23-17)28-21(27-19)30-29-18(31)14-8-11-22-12-9-14/h2-13H,1H3,(H,29,31)(H3,23,24,25,26,27,28,30)
InChIKeyJGRKKMZOCHLSMY-UHFFFAOYSA-N
MW429.44 g/mol
LogP2.91
Rot. Bonds8

About N'-[4-(3-methoxyanilino)-6-(pyridin-2-ylamino)-1,3,5-triazin-2-yl]pyridine-4-carbohydrazide

N'-[4-(3-methoxyanilino)-6-(pyridin-2-ylamino)-1,3,5-triazin-2-yl]pyridine-4-carbohydrazide (PubChem CID 71591709) has the molecular formula C21H19N9O2 and a molecular weight of 429.44 g/mol. Its IUPAC name is N'-[4-(3-methoxyanilino)-6-(pyridin-2-ylamino)-1,3,5-triazin-2-yl]pyridine-4-carbohydrazide.

Molecular Properties

Compound NameN'-[4-(3-methoxyanilino)-6-(pyridin-2-ylamino)-1,3,5-triazin-2-yl]pyridine-4-carbohydrazide
PubChem CID71591709
Molecular FormulaC21H19N9O2
Molecular Weight429.44 g/mol
Exact Mass429.17
IUPAC NameN'-[4-(3-methoxyanilino)-6-(pyridin-2-ylamino)-1,3,5-triazin-2-yl]pyridine-4-carbohydrazide
SMILESCOc1cccc(Nc2nc(NNC(=O)c3ccncc3)nc(Nc3ccccn3)n2)c1
InChIInChI=1S/C21H19N9O2/c1-32-16-6-4-5-15(13-16)24-19-26-20(25-17-7-2-3-10-23-17)28-21(27-19)30-29-18(31)14-8-11-22-12-9-14/h2-13H,1H3,(H,29,31)(H3,23,24,25,26,27,28,30)
InChIKeyJGRKKMZOCHLSMY-UHFFFAOYSA-N
XLogP2.91
TPSA138.87 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.44
LogP ≤ 52.91
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N'-[4-(3-methoxyanilino)-6-(pyridin-2-ylamino)-1,3,5-triazin-2-yl]pyridine-4-carbohydrazide with MolForge

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Related Compounds

N'-[4-(3-methylanilino)-6-(pyridin-2-ylamino)-1,3,5-triazin-2-yl]pyridine-4-carbohydrazide
CID 71591650
N-(3-methoxyphenyl)-2-(pyridin-2-ylamino)-1,3-thiazole-4-carboxamide
CID 90509804
phenyl N-[[4-(4-methoxy-2-methylphenyl)-6-[2-(pyridine-4-carbonyl)hydrazinyl]-1,3,5-triazin-2-yl]amino]carbamate
CID 10323127
methyl 2-(3-methoxyanilino)pyridine-4-carboxylate
CID 68663874
6-N-(3-methoxyphenyl)-4-N-pyridin-2-ylpyrimidine-4,5,6-triamine
CID 22543892
N-(3-bromophenyl)-2-(3-methoxyanilino)pyridine-4-carboxamide
CID 109178014
2-(3-bromoanilino)-N-(3-methoxyphenyl)pyridine-4-carboxamide
CID 109177974
2-(3-chloroanilino)-N-(3-methoxyphenyl)pyridine-4-carboxamide
CID 109177464
N-(2-tert-butylphenyl)-2-(3-methoxyanilino)pyridine-4-carboxamide
CID 109177158
1-(3-methoxyphenyl)-3-pyrimidin-2-ylurea
CID 108869136
N'-(3-methoxyphenyl)-N-(pyridine-4-carbonylamino)methanimidamide
CID 56933895
2-(3-methoxyanilino)-N-phenylpyrimidine-4-carboxamide
CID 109313540

Frequently Asked Questions

What is the IUPAC name of N'-[4-(3-methoxyanilino)-6-(pyridin-2-ylamino)-1,3,5-triazin-2-yl]pyridine-4-carbohydrazide?
The IUPAC name of N'-[4-(3-methoxyanilino)-6-(pyridin-2-ylamino)-1,3,5-triazin-2-yl]pyridine-4-carbohydrazide (CID 71591709) is N'-[4-(3-methoxyanilino)-6-(pyridin-2-ylamino)-1,3,5-triazin-2-yl]pyridine-4-carbohydrazide.
What is the SMILES notation for N'-[4-(3-methoxyanilino)-6-(pyridin-2-ylamino)-1,3,5-triazin-2-yl]pyridine-4-carbohydrazide?
The canonical SMILES for N'-[4-(3-methoxyanilino)-6-(pyridin-2-ylamino)-1,3,5-triazin-2-yl]pyridine-4-carbohydrazide is COc1cccc(Nc2nc(NNC(=O)c3ccncc3)nc(Nc3ccccn3)n2)c1.
What is the InChIKey of N'-[4-(3-methoxyanilino)-6-(pyridin-2-ylamino)-1,3,5-triazin-2-yl]pyridine-4-carbohydrazide?
The InChIKey is JGRKKMZOCHLSMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N9O2/c1-32-16-6-4-5-15(13-16)24-19-26-20(25-17-7-2-3-10-23-17)28-21(27-19)30-29-18(31)14-8-11-22-12-9-14/h2-13H,1H3,(H,29,31)(H3,23,24,25,26,27,28,30).
What are the key properties of N'-[4-(3-methoxyanilino)-6-(pyridin-2-ylamino)-1,3,5-triazin-2-yl]pyridine-4-carbohydrazide?
N'-[4-(3-methoxyanilino)-6-(pyridin-2-ylamino)-1,3,5-triazin-2-yl]pyridine-4-carbohydrazide has a molecular weight of 429.44 g/mol, XLogP of 2.91, 8 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-(3-methoxyanilino)-6-(pyridin-2-ylamino)-1,3,5-triazin-2-yl]pyridine-4-carbohydrazide is sourced from PubChem (CID 71591709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).