N'-[5-amino-6-(2,5-difluoroanilino)pyrimidin-4-yl]pyridine-3-carbohydrazide

C16H13F2N7O — CID 19151926

IUPACN'-[5-amino-6-(2,5-difluoroanilino)pyrimidin-4-yl]pyridine-3-carbohydrazide
SMILESNc1c(NNC(=O)c2cccnc2)ncnc1Nc1cc(F)ccc1F
InChIInChI=1S/C16H13F2N7O/c17-10-3-4-11(18)12(6-10)23-14-13(19)15(22-8-21-14)24-25-16(26)9-2-1-5-20-7-9/h1-8H,19H2,(H,25,26)(H2,21,22,23,24)
InChIKeyYJYAMHRVNIUVFS-UHFFFAOYSA-N
MW357.32 g/mol
LogP2.23
Rot. Bonds5

About N'-[5-amino-6-(2,5-difluoroanilino)pyrimidin-4-yl]pyridine-3-carbohydrazide

N'-[5-amino-6-(2,5-difluoroanilino)pyrimidin-4-yl]pyridine-3-carbohydrazide (PubChem CID 19151926) has the molecular formula C16H13F2N7O and a molecular weight of 357.32 g/mol. Its IUPAC name is N'-[5-amino-6-(2,5-difluoroanilino)pyrimidin-4-yl]pyridine-3-carbohydrazide.

Molecular Properties

Compound NameN'-[5-amino-6-(2,5-difluoroanilino)pyrimidin-4-yl]pyridine-3-carbohydrazide
PubChem CID19151926
Molecular FormulaC16H13F2N7O
Molecular Weight357.32 g/mol
Exact Mass357.11
IUPAC NameN'-[5-amino-6-(2,5-difluoroanilino)pyrimidin-4-yl]pyridine-3-carbohydrazide
SMILESNc1c(NNC(=O)c2cccnc2)ncnc1Nc1cc(F)ccc1F
InChIInChI=1S/C16H13F2N7O/c17-10-3-4-11(18)12(6-10)23-14-13(19)15(22-8-21-14)24-25-16(26)9-2-1-5-20-7-9/h1-8H,19H2,(H,25,26)(H2,21,22,23,24)
InChIKeyYJYAMHRVNIUVFS-UHFFFAOYSA-N
XLogP2.23
TPSA117.85 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.32
LogP ≤ 52.23
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N'-[6-(2,5-difluoroanilino)-5-nitropyrimidin-4-yl]pyridine-3-carbohydrazide
CID 22536653
N'-[5-amino-6-[2-(4-fluorobenzoyl)hydrazinyl]pyrimidin-4-yl]pyridine-3-carbohydrazide
CID 19151134
N'-[5-amino-6-(2,5-difluoroanilino)pyrimidin-4-yl]-3-chlorobenzohydrazide
CID 19151561
N'-[5-amino-6-[2-(pyridine-3-carbonyl)hydrazinyl]pyrimidin-4-yl]pyridine-3-carbohydrazide
CID 19151889
N'-[5-amino-6-(2-benzoylhydrazinyl)pyrimidin-4-yl]pyridine-3-carbohydrazide
CID 19150633
4-N-(2,5-difluorophenyl)-6-N-pyridin-3-ylpyrimidine-4,5,6-triamine
CID 19145503
N'-[5-amino-6-(2,5-difluoroanilino)pyrimidin-4-yl]-2-methylbenzohydrazide
CID 19150925
N'-[5-amino-6-(methylamino)pyrimidin-4-yl]pyridine-3-carbohydrazide
CID 19135090
N'-[5-amino-6-(2-fluoroanilino)pyrimidin-4-yl]benzohydrazide
CID 19145181
N'-[5-amino-6-[(3-methyl-2-pyridinyl)amino]pyrimidin-4-yl]pyridine-3-carbohydrazide
CID 19144647
N'-[5-amino-6-(4-iodoanilino)pyrimidin-4-yl]pyridine-3-carbohydrazide
CID 19148917
N'-[5-amino-6-(2-tert-butylhydrazinyl)pyrimidin-4-yl]pyridine-3-carbohydrazide
CID 19151902

Frequently Asked Questions

What is the IUPAC name of N'-[5-amino-6-(2,5-difluoroanilino)pyrimidin-4-yl]pyridine-3-carbohydrazide?
The IUPAC name of N'-[5-amino-6-(2,5-difluoroanilino)pyrimidin-4-yl]pyridine-3-carbohydrazide (CID 19151926) is N'-[5-amino-6-(2,5-difluoroanilino)pyrimidin-4-yl]pyridine-3-carbohydrazide.
What is the SMILES notation for N'-[5-amino-6-(2,5-difluoroanilino)pyrimidin-4-yl]pyridine-3-carbohydrazide?
The canonical SMILES for N'-[5-amino-6-(2,5-difluoroanilino)pyrimidin-4-yl]pyridine-3-carbohydrazide is Nc1c(NNC(=O)c2cccnc2)ncnc1Nc1cc(F)ccc1F.
What is the InChIKey of N'-[5-amino-6-(2,5-difluoroanilino)pyrimidin-4-yl]pyridine-3-carbohydrazide?
The InChIKey is YJYAMHRVNIUVFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F2N7O/c17-10-3-4-11(18)12(6-10)23-14-13(19)15(22-8-21-14)24-25-16(26)9-2-1-5-20-7-9/h1-8H,19H2,(H,25,26)(H2,21,22,23,24).
What are the key properties of N'-[5-amino-6-(2,5-difluoroanilino)pyrimidin-4-yl]pyridine-3-carbohydrazide?
N'-[5-amino-6-(2,5-difluoroanilino)pyrimidin-4-yl]pyridine-3-carbohydrazide has a molecular weight of 357.32 g/mol, XLogP of 2.23, 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-(2,5-difluoroanilino)pyrimidin-4-yl]pyridine-3-carbohydrazide is sourced from PubChem (CID 19151926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).