N'-[6-(diethylamino)-5-nitropyrimidin-4-yl]pyridine-2-carbohydrazide

C14H17N7O3 — CID 23488775

IUPACN'-[6-(diethylamino)-5-nitropyrimidin-4-yl]pyridine-2-carbohydrazide
SMILESCCN(CC)c1ncnc(NNC(=O)c2ccccn2)c1[N+](=O)[O-]
InChIInChI=1S/C14H17N7O3/c1-3-20(4-2)13-11(21(23)24)12(16-9-17-13)18-19-14(22)10-7-5-6-8-15-10/h5-9H,3-4H2,1-2H3,(H,19,22)(H,16,17,18)
InChIKeyWKYJHROCFJPXBM-UHFFFAOYSA-N
MW331.34 g/mol
LogP1.38
Rot. Bonds7

About N'-[6-(diethylamino)-5-nitropyrimidin-4-yl]pyridine-2-carbohydrazide

N'-[6-(diethylamino)-5-nitropyrimidin-4-yl]pyridine-2-carbohydrazide (PubChem CID 23488775) has the molecular formula C14H17N7O3 and a molecular weight of 331.34 g/mol. Its IUPAC name is N'-[6-(diethylamino)-5-nitropyrimidin-4-yl]pyridine-2-carbohydrazide.

Molecular Properties

Compound NameN'-[6-(diethylamino)-5-nitropyrimidin-4-yl]pyridine-2-carbohydrazide
PubChem CID23488775
Molecular FormulaC14H17N7O3
Molecular Weight331.34 g/mol
Exact Mass331.14
IUPAC NameN'-[6-(diethylamino)-5-nitropyrimidin-4-yl]pyridine-2-carbohydrazide
SMILESCCN(CC)c1ncnc(NNC(=O)c2ccccn2)c1[N+](=O)[O-]
InChIInChI=1S/C14H17N7O3/c1-3-20(4-2)13-11(21(23)24)12(16-9-17-13)18-19-14(22)10-7-5-6-8-15-10/h5-9H,3-4H2,1-2H3,(H,19,22)(H,16,17,18)
InChIKeyWKYJHROCFJPXBM-UHFFFAOYSA-N
XLogP1.38
TPSA126.18 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.34
LogP ≤ 51.38
H-Bond Donors ≤ 52
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-(diethylamino)-5-nitropyrimidin-4-yl]benzohydrazide
CID 23488754
N'-[5-nitro-6-(propylamino)pyrimidin-4-yl]pyridine-2-carbohydrazide
CID 23487392
N'-[6-(diethylamino)-5-nitropyrimidin-4-yl]-2-phenylacetohydrazide
CID 23488780
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
methyl 2-[methyl-[5-nitro-6-[2-(pyridine-2-carbonyl)hydrazinyl]pyrimidin-4-yl]amino]benzoate
CID 22536731
N'-[6-[(4-chlorophenyl)methylamino]-5-nitropyrimidin-4-yl]pyridine-2-carbohydrazide
CID 22534911
N'-[6-(4-ethylpiperazin-1-yl)-5-nitropyrimidin-4-yl]pyridine-2-carbohydrazide
CID 23490358
N'-[6-(4-butoxyanilino)-5-nitropyrimidin-4-yl]pyridine-2-carbohydrazide
CID 23495159
N'-[6-[(5-methyl-2-pyridinyl)amino]-5-nitropyrimidin-4-yl]pyridine-2-carbohydrazide
CID 22536714
N'-[6-(2,4-dichloroanilino)-5-nitropyrimidin-4-yl]pyridine-2-carbohydrazide
CID 22534144
N'-[6-[bis(cyanomethyl)amino]-5-nitropyrimidin-4-yl]benzohydrazide
CID 23493345

Frequently Asked Questions

What is the IUPAC name of N'-[6-(diethylamino)-5-nitropyrimidin-4-yl]pyridine-2-carbohydrazide?
The IUPAC name of N'-[6-(diethylamino)-5-nitropyrimidin-4-yl]pyridine-2-carbohydrazide (CID 23488775) is N'-[6-(diethylamino)-5-nitropyrimidin-4-yl]pyridine-2-carbohydrazide.
What is the SMILES notation for N'-[6-(diethylamino)-5-nitropyrimidin-4-yl]pyridine-2-carbohydrazide?
The canonical SMILES for N'-[6-(diethylamino)-5-nitropyrimidin-4-yl]pyridine-2-carbohydrazide is CCN(CC)c1ncnc(NNC(=O)c2ccccn2)c1[N+](=O)[O-].
What is the InChIKey of N'-[6-(diethylamino)-5-nitropyrimidin-4-yl]pyridine-2-carbohydrazide?
The InChIKey is WKYJHROCFJPXBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N7O3/c1-3-20(4-2)13-11(21(23)24)12(16-9-17-13)18-19-14(22)10-7-5-6-8-15-10/h5-9H,3-4H2,1-2H3,(H,19,22)(H,16,17,18).
What are the key properties of N'-[6-(diethylamino)-5-nitropyrimidin-4-yl]pyridine-2-carbohydrazide?
N'-[6-(diethylamino)-5-nitropyrimidin-4-yl]pyridine-2-carbohydrazide has a molecular weight of 331.34 g/mol, XLogP of 1.38, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[6-(diethylamino)-5-nitropyrimidin-4-yl]pyridine-2-carbohydrazide is sourced from PubChem (CID 23488775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).