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

C16H14IN7O — CID 19148917

IUPACN'-[5-amino-6-(4-iodoanilino)pyrimidin-4-yl]pyridine-3-carbohydrazide
SMILESNc1c(NNC(=O)c2cccnc2)ncnc1Nc1ccc(I)cc1
InChIInChI=1S/C16H14IN7O/c17-11-3-5-12(6-4-11)22-14-13(18)15(21-9-20-14)23-24-16(25)10-2-1-7-19-8-10/h1-9H,18H2,(H,24,25)(H2,20,21,22,23)
InChIKeyOEEVPZNFVGVPSL-UHFFFAOYSA-N
MW447.24 g/mol
LogP2.56
Rot. Bonds5

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

N'-[5-amino-6-(4-iodoanilino)pyrimidin-4-yl]pyridine-3-carbohydrazide (PubChem CID 19148917) has the molecular formula C16H14IN7O and a molecular weight of 447.24 g/mol. Its IUPAC name is N'-[5-amino-6-(4-iodoanilino)pyrimidin-4-yl]pyridine-3-carbohydrazide.

Molecular Properties

Compound NameN'-[5-amino-6-(4-iodoanilino)pyrimidin-4-yl]pyridine-3-carbohydrazide
PubChem CID19148917
Molecular FormulaC16H14IN7O
Molecular Weight447.24 g/mol
Exact Mass447.03
IUPAC NameN'-[5-amino-6-(4-iodoanilino)pyrimidin-4-yl]pyridine-3-carbohydrazide
SMILESNc1c(NNC(=O)c2cccnc2)ncnc1Nc1ccc(I)cc1
InChIInChI=1S/C16H14IN7O/c17-11-3-5-12(6-4-11)22-14-13(18)15(21-9-20-14)23-24-16(25)10-2-1-7-19-8-10/h1-9H,18H2,(H,24,25)(H2,20,21,22,23)
InChIKeyOEEVPZNFVGVPSL-UHFFFAOYSA-N
XLogP2.56
TPSA117.85 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.24
LogP ≤ 52.56
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N'-[5-amino-6-[2-(pyridine-3-carbonyl)hydrazinyl]pyrimidin-4-yl]pyridine-3-carbohydrazide
CID 19151889
N'-[5-amino-6-(4-phenoxyanilino)pyrimidin-4-yl]pyridine-3-carbohydrazide
CID 19151939
N'-[5-amino-6-(2-benzoylhydrazinyl)pyrimidin-4-yl]pyridine-3-carbohydrazide
CID 19150633
N'-[5-amino-6-(methylamino)pyrimidin-4-yl]pyridine-3-carbohydrazide
CID 19135090
N'-[5-amino-6-(4-iodoanilino)pyrimidin-4-yl]-4-bromobenzohydrazide
CID 19148906
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'-[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-(2,5-difluoroanilino)pyrimidin-4-yl]pyridine-3-carbohydrazide
CID 19151926
N'-[5-amino-6-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]pyridine-3-carbohydrazide
CID 19149623
N'-[5-amino-6-[2-(2-phenoxyacetyl)hydrazinyl]pyrimidin-4-yl]pyridine-3-carbohydrazide
CID 19151895

Frequently Asked Questions

What is the IUPAC name of N'-[5-amino-6-(4-iodoanilino)pyrimidin-4-yl]pyridine-3-carbohydrazide?
The IUPAC name of N'-[5-amino-6-(4-iodoanilino)pyrimidin-4-yl]pyridine-3-carbohydrazide (CID 19148917) is N'-[5-amino-6-(4-iodoanilino)pyrimidin-4-yl]pyridine-3-carbohydrazide.
What is the SMILES notation for N'-[5-amino-6-(4-iodoanilino)pyrimidin-4-yl]pyridine-3-carbohydrazide?
The canonical SMILES for N'-[5-amino-6-(4-iodoanilino)pyrimidin-4-yl]pyridine-3-carbohydrazide is Nc1c(NNC(=O)c2cccnc2)ncnc1Nc1ccc(I)cc1.
What is the InChIKey of N'-[5-amino-6-(4-iodoanilino)pyrimidin-4-yl]pyridine-3-carbohydrazide?
The InChIKey is OEEVPZNFVGVPSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14IN7O/c17-11-3-5-12(6-4-11)22-14-13(18)15(21-9-20-14)23-24-16(25)10-2-1-7-19-8-10/h1-9H,18H2,(H,24,25)(H2,20,21,22,23).
What are the key properties of N'-[5-amino-6-(4-iodoanilino)pyrimidin-4-yl]pyridine-3-carbohydrazide?
N'-[5-amino-6-(4-iodoanilino)pyrimidin-4-yl]pyridine-3-carbohydrazide has a molecular weight of 447.24 g/mol, XLogP of 2.56, 5 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[5-amino-6-(4-iodoanilino)pyrimidin-4-yl]pyridine-3-carbohydrazide is sourced from PubChem (CID 19148917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).