N'-[5-amino-6-(4-phenoxyanilino)pyrimidin-4-yl]pyridine-3-carbohydrazide

C22H19N7O2 — CID 19151939

IUPACN'-[5-amino-6-(4-phenoxyanilino)pyrimidin-4-yl]pyridine-3-carbohydrazide
SMILESNc1c(NNC(=O)c2cccnc2)ncnc1Nc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C22H19N7O2/c23-19-20(25-14-26-21(19)28-29-22(30)15-5-4-12-24-13-15)27-16-8-10-18(11-9-16)31-17-6-2-1-3-7-17/h1-14H,23H2,(H,29,30)(H2,25,26,27,28)
InChIKeyBRMPJSKYCLEJJC-UHFFFAOYSA-N
MW413.44 g/mol
LogP3.75
Rot. Bonds7

About N'-[5-amino-6-(4-phenoxyanilino)pyrimidin-4-yl]pyridine-3-carbohydrazide

N'-[5-amino-6-(4-phenoxyanilino)pyrimidin-4-yl]pyridine-3-carbohydrazide (PubChem CID 19151939) has the molecular formula C22H19N7O2 and a molecular weight of 413.44 g/mol. Its IUPAC name is N'-[5-amino-6-(4-phenoxyanilino)pyrimidin-4-yl]pyridine-3-carbohydrazide.

Molecular Properties

Compound NameN'-[5-amino-6-(4-phenoxyanilino)pyrimidin-4-yl]pyridine-3-carbohydrazide
PubChem CID19151939
Molecular FormulaC22H19N7O2
Molecular Weight413.44 g/mol
Exact Mass413.16
IUPAC NameN'-[5-amino-6-(4-phenoxyanilino)pyrimidin-4-yl]pyridine-3-carbohydrazide
SMILESNc1c(NNC(=O)c2cccnc2)ncnc1Nc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C22H19N7O2/c23-19-20(25-14-26-21(19)28-29-22(30)15-5-4-12-24-13-15)27-16-8-10-18(11-9-16)31-17-6-2-1-3-7-17/h1-14H,23H2,(H,29,30)(H2,25,26,27,28)
InChIKeyBRMPJSKYCLEJJC-UHFFFAOYSA-N
XLogP3.75
TPSA127.08 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.44
LogP ≤ 53.75
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

N'-[5-amino-6-(4-iodoanilino)pyrimidin-4-yl]pyridine-3-carbohydrazide
CID 19148917
N'-[5-amino-6-(2-benzoylhydrazinyl)pyrimidin-4-yl]pyridine-3-carbohydrazide
CID 19150633
N'-[5-amino-6-[2-(pyridine-3-carbonyl)hydrazinyl]pyrimidin-4-yl]pyridine-3-carbohydrazide
CID 19151889
N'-[5-amino-6-[2-(2-phenoxyacetyl)hydrazinyl]pyrimidin-4-yl]pyridine-3-carbohydrazide
CID 19151895
N'-(5-amino-6-pyridin-3-yloxypyrimidin-4-yl)benzohydrazide
CID 19150656
N'-[5-amino-6-(methylamino)pyrimidin-4-yl]pyridine-3-carbohydrazide
CID 19135090
N'-[5-amino-6-[(3-methyl-2-pyridinyl)amino]pyrimidin-4-yl]pyridine-3-carbohydrazide
CID 19144647
N'-[5-amino-6-[2-(4-fluorobenzoyl)hydrazinyl]pyrimidin-4-yl]pyridine-3-carbohydrazide
CID 19151134
N-[4-[[5-amino-6-(2-benzoylhydrazinyl)pyrimidin-4-yl]amino]phenyl]acetamide
CID 19150657
N'-[5-amino-6-(2-tert-butylhydrazinyl)pyrimidin-4-yl]pyridine-3-carbohydrazide
CID 19151902
N'-[5-amino-6-(propan-2-ylamino)pyrimidin-4-yl]pyridine-3-carbohydrazide
CID 19135674
N'-[5-amino-6-(4-ethoxyanilino)pyrimidin-4-yl]pyridine-4-carbohydrazide
CID 19149224

Frequently Asked Questions

What is the IUPAC name of N'-[5-amino-6-(4-phenoxyanilino)pyrimidin-4-yl]pyridine-3-carbohydrazide?
The IUPAC name of N'-[5-amino-6-(4-phenoxyanilino)pyrimidin-4-yl]pyridine-3-carbohydrazide (CID 19151939) is N'-[5-amino-6-(4-phenoxyanilino)pyrimidin-4-yl]pyridine-3-carbohydrazide.
What is the SMILES notation for N'-[5-amino-6-(4-phenoxyanilino)pyrimidin-4-yl]pyridine-3-carbohydrazide?
The canonical SMILES for N'-[5-amino-6-(4-phenoxyanilino)pyrimidin-4-yl]pyridine-3-carbohydrazide is Nc1c(NNC(=O)c2cccnc2)ncnc1Nc1ccc(Oc2ccccc2)cc1.
What is the InChIKey of N'-[5-amino-6-(4-phenoxyanilino)pyrimidin-4-yl]pyridine-3-carbohydrazide?
The InChIKey is BRMPJSKYCLEJJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N7O2/c23-19-20(25-14-26-21(19)28-29-22(30)15-5-4-12-24-13-15)27-16-8-10-18(11-9-16)31-17-6-2-1-3-7-17/h1-14H,23H2,(H,29,30)(H2,25,26,27,28).
What are the key properties of N'-[5-amino-6-(4-phenoxyanilino)pyrimidin-4-yl]pyridine-3-carbohydrazide?
N'-[5-amino-6-(4-phenoxyanilino)pyrimidin-4-yl]pyridine-3-carbohydrazide has a molecular weight of 413.44 g/mol, XLogP of 3.75, 7 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[5-amino-6-(4-phenoxyanilino)pyrimidin-4-yl]pyridine-3-carbohydrazide is sourced from PubChem (CID 19151939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).