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

C21H19N9O — CID 71591650

IUPACN'-[4-(3-methylanilino)-6-(pyridin-2-ylamino)-1,3,5-triazin-2-yl]pyridine-4-carbohydrazide
SMILESCc1cccc(Nc2nc(NNC(=O)c3ccncc3)nc(Nc3ccccn3)n2)c1
InChIInChI=1S/C21H19N9O/c1-14-5-4-6-16(13-14)24-19-26-20(25-17-7-2-3-10-23-17)28-21(27-19)30-29-18(31)15-8-11-22-12-9-15/h2-13H,1H3,(H,29,31)(H3,23,24,25,26,27,28,30)
InChIKeyNPRZXSCXWSKADW-UHFFFAOYSA-N
MW413.45 g/mol
LogP3.21
Rot. Bonds7

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

N'-[4-(3-methylanilino)-6-(pyridin-2-ylamino)-1,3,5-triazin-2-yl]pyridine-4-carbohydrazide (PubChem CID 71591650) has the molecular formula C21H19N9O and a molecular weight of 413.45 g/mol. Its IUPAC name is N'-[4-(3-methylanilino)-6-(pyridin-2-ylamino)-1,3,5-triazin-2-yl]pyridine-4-carbohydrazide.

Molecular Properties

Compound NameN'-[4-(3-methylanilino)-6-(pyridin-2-ylamino)-1,3,5-triazin-2-yl]pyridine-4-carbohydrazide
PubChem CID71591650
Molecular FormulaC21H19N9O
Molecular Weight413.45 g/mol
Exact Mass413.17
IUPAC NameN'-[4-(3-methylanilino)-6-(pyridin-2-ylamino)-1,3,5-triazin-2-yl]pyridine-4-carbohydrazide
SMILESCc1cccc(Nc2nc(NNC(=O)c3ccncc3)nc(Nc3ccccn3)n2)c1
InChIInChI=1S/C21H19N9O/c1-14-5-4-6-16(13-14)24-19-26-20(25-17-7-2-3-10-23-17)28-21(27-19)30-29-18(31)15-8-11-22-12-9-15/h2-13H,1H3,(H,29,31)(H3,23,24,25,26,27,28,30)
InChIKeyNPRZXSCXWSKADW-UHFFFAOYSA-N
XLogP3.21
TPSA129.64 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.45
LogP ≤ 53.21
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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

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Related Compounds

N'-[4-(3-methoxyanilino)-6-(pyridin-2-ylamino)-1,3,5-triazin-2-yl]pyridine-4-carbohydrazide
CID 71591709
N-(3-methylphenyl)pyridin-2-amine
CID 12695761
dicopper;bis(N-(3-methylphenyl)pyridin-2-amine);tetraacetate
CID 139078058
N'-[6-(3-methylanilino)-5-nitropyrimidin-4-yl]pyridine-4-carbohydrazide
CID 22532417
N'-(4-anilino-6-piperidin-1-yl-1,3,5-triazin-2-yl)pyridine-4-carbohydrazide
CID 46854707
N-[4-[[2-methyl-6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]pyridine-4-carboxamide
CID 122317045
2-(3-methylanilino)-N-(3-methylphenyl)pyrimidine-5-carboxamide
CID 109265476
2-[[4,6-bis(3-methylanilino)-1,3,5-triazin-2-yl]amino]acetic acid
CID 14064847
2-(3-methylanilino)-N-(pyridin-4-ylmethyl)pyrimidine-5-carboxamide
CID 109259140
N-(3-bromophenyl)-2-(3-methylanilino)pyridine-4-carboxamide
CID 109176276
6-methyl-2-(3-methylanilino)-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide
CID 109329774
2-anilino-N-(3-methylphenyl)pyrimidine-4-carboxamide
CID 109313397

Frequently Asked Questions

What is the IUPAC name of N'-[4-(3-methylanilino)-6-(pyridin-2-ylamino)-1,3,5-triazin-2-yl]pyridine-4-carbohydrazide?
The IUPAC name of N'-[4-(3-methylanilino)-6-(pyridin-2-ylamino)-1,3,5-triazin-2-yl]pyridine-4-carbohydrazide (CID 71591650) is N'-[4-(3-methylanilino)-6-(pyridin-2-ylamino)-1,3,5-triazin-2-yl]pyridine-4-carbohydrazide.
What is the SMILES notation for N'-[4-(3-methylanilino)-6-(pyridin-2-ylamino)-1,3,5-triazin-2-yl]pyridine-4-carbohydrazide?
The canonical SMILES for N'-[4-(3-methylanilino)-6-(pyridin-2-ylamino)-1,3,5-triazin-2-yl]pyridine-4-carbohydrazide is Cc1cccc(Nc2nc(NNC(=O)c3ccncc3)nc(Nc3ccccn3)n2)c1.
What is the InChIKey of N'-[4-(3-methylanilino)-6-(pyridin-2-ylamino)-1,3,5-triazin-2-yl]pyridine-4-carbohydrazide?
The InChIKey is NPRZXSCXWSKADW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N9O/c1-14-5-4-6-16(13-14)24-19-26-20(25-17-7-2-3-10-23-17)28-21(27-19)30-29-18(31)15-8-11-22-12-9-15/h2-13H,1H3,(H,29,31)(H3,23,24,25,26,27,28,30).
What are the key properties of N'-[4-(3-methylanilino)-6-(pyridin-2-ylamino)-1,3,5-triazin-2-yl]pyridine-4-carbohydrazide?
N'-[4-(3-methylanilino)-6-(pyridin-2-ylamino)-1,3,5-triazin-2-yl]pyridine-4-carbohydrazide has a molecular weight of 413.45 g/mol, XLogP of 3.21, 7 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-(3-methylanilino)-6-(pyridin-2-ylamino)-1,3,5-triazin-2-yl]pyridine-4-carbohydrazide is sourced from PubChem (CID 71591650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).