2-fluoro-N'-[6-[(4-methyl-2-pyridinyl)amino]-5-nitropyrimidin-4-yl]benzohydrazide

C17H14FN7O3 — CID 23483819

IUPAC2-fluoro-N'-[6-[(4-methyl-2-pyridinyl)amino]-5-nitropyrimidin-4-yl]benzohydrazide
SMILESCc1ccnc(Nc2ncnc(NNC(=O)c3ccccc3F)c2[N+](=O)[O-])c1
InChIInChI=1S/C17H14FN7O3/c1-10-6-7-19-13(8-10)22-15-14(25(27)28)16(21-9-20-15)23-24-17(26)11-4-2-3-5-12(11)18/h2-9H,1H3,(H,24,26)(H2,19,20,21,22,23)
InChIKeyPEGLDFGTXCIKEF-UHFFFAOYSA-N
MW383.34 g/mol
LogP2.73
Rot. Bonds6

About 2-fluoro-N'-[6-[(4-methyl-2-pyridinyl)amino]-5-nitropyrimidin-4-yl]benzohydrazide

2-fluoro-N'-[6-[(4-methyl-2-pyridinyl)amino]-5-nitropyrimidin-4-yl]benzohydrazide (PubChem CID 23483819) has the molecular formula C17H14FN7O3 and a molecular weight of 383.34 g/mol. Its IUPAC name is 2-fluoro-N'-[6-[(4-methyl-2-pyridinyl)amino]-5-nitropyrimidin-4-yl]benzohydrazide.

Molecular Properties

Compound Name2-fluoro-N'-[6-[(4-methyl-2-pyridinyl)amino]-5-nitropyrimidin-4-yl]benzohydrazide
PubChem CID23483819
Molecular FormulaC17H14FN7O3
Molecular Weight383.34 g/mol
Exact Mass383.11
IUPAC Name2-fluoro-N'-[6-[(4-methyl-2-pyridinyl)amino]-5-nitropyrimidin-4-yl]benzohydrazide
SMILESCc1ccnc(Nc2ncnc(NNC(=O)c3ccccc3F)c2[N+](=O)[O-])c1
InChIInChI=1S/C17H14FN7O3/c1-10-6-7-19-13(8-10)22-15-14(25(27)28)16(21-9-20-15)23-24-17(26)11-4-2-3-5-12(11)18/h2-9H,1H3,(H,24,26)(H2,19,20,21,22,23)
InChIKeyPEGLDFGTXCIKEF-UHFFFAOYSA-N
XLogP2.73
TPSA134.97 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.34
LogP ≤ 52.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

N'-[5-amino-6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]-2-fluorobenzohydrazide
CID 22545221
N'-[6-[2-(2-fluorobenzoyl)hydrazinyl]-5-nitropyrimidin-4-yl]pyridine-4-carbohydrazide
CID 22535774
N'-[6-(2-tert-butylhydrazinyl)-5-nitropyrimidin-4-yl]-2-fluorobenzohydrazide
CID 22535789
N'-[6-(2,5-difluoroanilino)-5-nitropyrimidin-4-yl]-2-fluorobenzohydrazide
CID 22535812
N'-[6-[2-(2-fluorobenzoyl)hydrazinyl]-5-nitropyrimidin-4-yl]naphthalene-1-carbohydrazide
CID 22535771
ethyl 2-[[6-[2-(2-fluorobenzoyl)hydrazinyl]-5-nitropyrimidin-4-yl]amino]benzoate
CID 22535827
N'-[6-[2-(2-fluorobenzoyl)hydrazinyl]-5-nitropyrimidin-4-yl]pyridine-3-carbohydrazide
CID 22535775
2-fluoro-N'-[6-(naphthalen-1-ylamino)-5-nitropyrimidin-4-yl]benzohydrazide
CID 22527560
2-chloro-N'-[6-(3,5-dimethylanilino)-5-nitropyrimidin-4-yl]benzohydrazide
CID 23479491
N'-[6-(N-ethyl-3-methylanilino)-5-nitropyrimidin-4-yl]-2-fluorobenzohydrazide
CID 23477804
N'-[6-(2,4-dimethylanilino)-5-nitropyrimidin-4-yl]-2-methylbenzohydrazide
CID 23495456
N'-[6-[(5-methyl-2-pyridinyl)amino]-5-nitropyrimidin-4-yl]pyridine-2-carbohydrazide
CID 22536714

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N'-[6-[(4-methyl-2-pyridinyl)amino]-5-nitropyrimidin-4-yl]benzohydrazide?
The IUPAC name of 2-fluoro-N'-[6-[(4-methyl-2-pyridinyl)amino]-5-nitropyrimidin-4-yl]benzohydrazide (CID 23483819) is 2-fluoro-N'-[6-[(4-methyl-2-pyridinyl)amino]-5-nitropyrimidin-4-yl]benzohydrazide.
What is the SMILES notation for 2-fluoro-N'-[6-[(4-methyl-2-pyridinyl)amino]-5-nitropyrimidin-4-yl]benzohydrazide?
The canonical SMILES for 2-fluoro-N'-[6-[(4-methyl-2-pyridinyl)amino]-5-nitropyrimidin-4-yl]benzohydrazide is Cc1ccnc(Nc2ncnc(NNC(=O)c3ccccc3F)c2[N+](=O)[O-])c1.
What is the InChIKey of 2-fluoro-N'-[6-[(4-methyl-2-pyridinyl)amino]-5-nitropyrimidin-4-yl]benzohydrazide?
The InChIKey is PEGLDFGTXCIKEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FN7O3/c1-10-6-7-19-13(8-10)22-15-14(25(27)28)16(21-9-20-15)23-24-17(26)11-4-2-3-5-12(11)18/h2-9H,1H3,(H,24,26)(H2,19,20,21,22,23).
What are the key properties of 2-fluoro-N'-[6-[(4-methyl-2-pyridinyl)amino]-5-nitropyrimidin-4-yl]benzohydrazide?
2-fluoro-N'-[6-[(4-methyl-2-pyridinyl)amino]-5-nitropyrimidin-4-yl]benzohydrazide has a molecular weight of 383.34 g/mol, XLogP of 2.73, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N'-[6-[(4-methyl-2-pyridinyl)amino]-5-nitropyrimidin-4-yl]benzohydrazide is sourced from PubChem (CID 23483819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).