N'-[5-nitro-6-(propylamino)pyrimidin-4-yl]pyridine-2-carbohydrazide

C13H15N7O3 — CID 23487392

IUPACN'-[5-nitro-6-(propylamino)pyrimidin-4-yl]pyridine-2-carbohydrazide
SMILESCCCNc1ncnc(NNC(=O)c2ccccn2)c1[N+](=O)[O-]
InChIInChI=1S/C13H15N7O3/c1-2-6-15-11-10(20(22)23)12(17-8-16-11)18-19-13(21)9-5-3-4-7-14-9/h3-5,7-8H,2,6H2,1H3,(H,19,21)(H2,15,16,17,18)
InChIKeyPYHPCUFYNPJASE-UHFFFAOYSA-N
MW317.31 g/mol
LogP1.36
Rot. Bonds7

About N'-[5-nitro-6-(propylamino)pyrimidin-4-yl]pyridine-2-carbohydrazide

N'-[5-nitro-6-(propylamino)pyrimidin-4-yl]pyridine-2-carbohydrazide (PubChem CID 23487392) 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-2-carbohydrazide.

Molecular Properties

Compound NameN'-[5-nitro-6-(propylamino)pyrimidin-4-yl]pyridine-2-carbohydrazide
PubChem CID23487392
Molecular FormulaC13H15N7O3
Molecular Weight317.31 g/mol
Exact Mass317.12
IUPAC NameN'-[5-nitro-6-(propylamino)pyrimidin-4-yl]pyridine-2-carbohydrazide
SMILESCCCNc1ncnc(NNC(=O)c2ccccn2)c1[N+](=O)[O-]
InChIInChI=1S/C13H15N7O3/c1-2-6-15-11-10(20(22)23)12(17-8-16-11)18-19-13(21)9-5-3-4-7-14-9/h3-5,7-8H,2,6H2,1H3,(H,19,21)(H2,15,16,17,18)
InChIKeyPYHPCUFYNPJASE-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-chloro-5-nitropyrimidin-4-yl)pyridine-2-carbohydrazide
CID 23477377
N'-[6-(2-benzoylhydrazinyl)-5-nitropyrimidin-4-yl]pyridine-2-carbohydrazide
CID 22535003
N'-[6-[(4-chlorophenyl)methylamino]-5-nitropyrimidin-4-yl]pyridine-2-carbohydrazide
CID 22534911
N'-[5-nitro-6-(propylamino)pyrimidin-4-yl]pyridine-3-carbohydrazide
CID 23487391
N'-[6-(diethylamino)-5-nitropyrimidin-4-yl]pyridine-2-carbohydrazide
CID 23488775
N'-[6-(4-butoxyanilino)-5-nitropyrimidin-4-yl]pyridine-2-carbohydrazide
CID 23495159
N'-[5-nitro-6-(propylamino)pyrimidin-4-yl]-2-phenoxyacetohydrazide
CID 23487398
N'-[6-(hexadecylamino)-5-nitropyrimidin-4-yl]benzohydrazide
CID 23494500
N'-[6-[(5-methyl-2-pyridinyl)amino]-5-nitropyrimidin-4-yl]pyridine-2-carbohydrazide
CID 22536714
N'-[6-(4-ethylpiperazin-1-yl)-5-nitropyrimidin-4-yl]pyridine-2-carbohydrazide
CID 23490358
N'-[6-(2,4-dichloroanilino)-5-nitropyrimidin-4-yl]pyridine-2-carbohydrazide
CID 22534144
N'-[6-(4-bromo-2-fluoroanilino)-5-nitropyrimidin-4-yl]pyridine-2-carbohydrazide
CID 22536703

Frequently Asked Questions

What is the IUPAC name of N'-[5-nitro-6-(propylamino)pyrimidin-4-yl]pyridine-2-carbohydrazide?
The IUPAC name of N'-[5-nitro-6-(propylamino)pyrimidin-4-yl]pyridine-2-carbohydrazide (CID 23487392) is N'-[5-nitro-6-(propylamino)pyrimidin-4-yl]pyridine-2-carbohydrazide.
What is the SMILES notation for N'-[5-nitro-6-(propylamino)pyrimidin-4-yl]pyridine-2-carbohydrazide?
The canonical SMILES for N'-[5-nitro-6-(propylamino)pyrimidin-4-yl]pyridine-2-carbohydrazide is CCCNc1ncnc(NNC(=O)c2ccccn2)c1[N+](=O)[O-].
What is the InChIKey of N'-[5-nitro-6-(propylamino)pyrimidin-4-yl]pyridine-2-carbohydrazide?
The InChIKey is PYHPCUFYNPJASE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N7O3/c1-2-6-15-11-10(20(22)23)12(17-8-16-11)18-19-13(21)9-5-3-4-7-14-9/h3-5,7-8H,2,6H2,1H3,(H,19,21)(H2,15,16,17,18).
What are the key properties of N'-[5-nitro-6-(propylamino)pyrimidin-4-yl]pyridine-2-carbohydrazide?
N'-[5-nitro-6-(propylamino)pyrimidin-4-yl]pyridine-2-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-2-carbohydrazide is sourced from PubChem (CID 23487392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).