N'-[5-nitro-6-(propylamino)pyrimidin-4-yl]pyridine-3-carbohydrazide

C13H15N7O3 — CID 23487391

IUPACN'-[5-nitro-6-(propylamino)pyrimidin-4-yl]pyridine-3-carbohydrazide
SMILESCCCNc1ncnc(NNC(=O)c2cccnc2)c1[N+](=O)[O-]
InChIInChI=1S/C13H15N7O3/c1-2-5-15-11-10(20(22)23)12(17-8-16-11)18-19-13(21)9-4-3-6-14-7-9/h3-4,6-8H,2,5H2,1H3,(H,19,21)(H2,15,16,17,18)
InChIKeyTWKJDQRBQXWWHW-UHFFFAOYSA-N
MW317.31 g/mol
LogP1.36
Rot. Bonds7

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

N'-[5-nitro-6-(propylamino)pyrimidin-4-yl]pyridine-3-carbohydrazide (PubChem CID 23487391) has the molecular formula C13H15N7O3 and a molecular weight of 317.31 g/mol. Its IUPAC name is N'-[5-nitro-6-(propylamino)pyrimidin-4-yl]pyridine-3-carbohydrazide.

Molecular Properties

Compound NameN'-[5-nitro-6-(propylamino)pyrimidin-4-yl]pyridine-3-carbohydrazide
PubChem CID23487391
Molecular FormulaC13H15N7O3
Molecular Weight317.31 g/mol
Exact Mass317.12
IUPAC NameN'-[5-nitro-6-(propylamino)pyrimidin-4-yl]pyridine-3-carbohydrazide
SMILESCCCNc1ncnc(NNC(=O)c2cccnc2)c1[N+](=O)[O-]
InChIInChI=1S/C13H15N7O3/c1-2-5-15-11-10(20(22)23)12(17-8-16-11)18-19-13(21)9-4-3-6-14-7-9/h3-4,6-8H,2,5H2,1H3,(H,19,21)(H2,15,16,17,18)
InChIKeyTWKJDQRBQXWWHW-UHFFFAOYSA-N
XLogP1.36
TPSA134.97 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.31
LogP ≤ 51.36
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'-[6-[2-(cyclohexen-1-yl)ethylamino]-5-nitropyrimidin-4-yl]pyridine-3-carbohydrazide
CID 22525943
N'-[6-(2-morpholin-4-ylethylamino)-5-nitropyrimidin-4-yl]pyridine-3-carbohydrazide
CID 22536657
N'-[6-[2-(3,4-dimethoxyphenyl)ethylamino]-5-nitropyrimidin-4-yl]pyridine-3-carbohydrazide
CID 23480210
N'-[5-nitro-6-(propylamino)pyrimidin-4-yl]pyridine-2-carbohydrazide
CID 23487392
N'-[6-(4-butylanilino)-5-nitropyrimidin-4-yl]pyridine-3-carbohydrazide
CID 23478544
N'-[6-(hexadecylamino)-5-nitropyrimidin-4-yl]benzohydrazide
CID 23494500
N'-[6-[2-(2-fluorobenzoyl)hydrazinyl]-5-nitropyrimidin-4-yl]pyridine-3-carbohydrazide
CID 22535775
N'-[6-[(6-methyl-2-pyridinyl)amino]-5-nitropyrimidin-4-yl]pyridine-3-carbohydrazide
CID 23480909
N'-[6-[2-(4-chloro-3-nitrobenzoyl)hydrazinyl]-5-nitropyrimidin-4-yl]pyridine-3-carbohydrazide
CID 22536247
N'-[5-amino-6-(butylamino)pyrimidin-4-yl]pyridine-3-carbohydrazide
CID 19134894
N'-[5-nitro-6-[4-(trifluoromethyl)anilino]pyrimidin-4-yl]pyridine-3-carbohydrazide
CID 22536651
N'-[5-nitro-6-(propylamino)pyrimidin-4-yl]-2-phenoxyacetohydrazide
CID 23487398

Frequently Asked Questions

What is the IUPAC name of N'-[5-nitro-6-(propylamino)pyrimidin-4-yl]pyridine-3-carbohydrazide?
The IUPAC name of N'-[5-nitro-6-(propylamino)pyrimidin-4-yl]pyridine-3-carbohydrazide (CID 23487391) is N'-[5-nitro-6-(propylamino)pyrimidin-4-yl]pyridine-3-carbohydrazide.
What is the SMILES notation for N'-[5-nitro-6-(propylamino)pyrimidin-4-yl]pyridine-3-carbohydrazide?
The canonical SMILES for N'-[5-nitro-6-(propylamino)pyrimidin-4-yl]pyridine-3-carbohydrazide is CCCNc1ncnc(NNC(=O)c2cccnc2)c1[N+](=O)[O-].
What is the InChIKey of N'-[5-nitro-6-(propylamino)pyrimidin-4-yl]pyridine-3-carbohydrazide?
The InChIKey is TWKJDQRBQXWWHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N7O3/c1-2-5-15-11-10(20(22)23)12(17-8-16-11)18-19-13(21)9-4-3-6-14-7-9/h3-4,6-8H,2,5H2,1H3,(H,19,21)(H2,15,16,17,18).
What are the key properties of N'-[5-nitro-6-(propylamino)pyrimidin-4-yl]pyridine-3-carbohydrazide?
N'-[5-nitro-6-(propylamino)pyrimidin-4-yl]pyridine-3-carbohydrazide has a molecular weight of 317.31 g/mol, XLogP of 1.36, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[5-nitro-6-(propylamino)pyrimidin-4-yl]pyridine-3-carbohydrazide is sourced from PubChem (CID 23487391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).