N'-(6-morpholin-4-yl-5-nitropyrimidin-4-yl)pyridine-4-carbohydrazide

C14H15N7O4 — CID 23489617

IUPACN'-(6-morpholin-4-yl-5-nitropyrimidin-4-yl)pyridine-4-carbohydrazide
SMILESO=C(NNc1ncnc(N2CCOCC2)c1[N+](=O)[O-])c1ccncc1
InChIInChI=1S/C14H15N7O4/c22-14(10-1-3-15-4-2-10)19-18-12-11(21(23)24)13(17-9-16-12)20-5-7-25-8-6-20/h1-4,9H,5-8H2,(H,19,22)(H,16,17,18)
InChIKeyKDTRIOSTAAHREF-UHFFFAOYSA-N
MW345.32 g/mol
LogP0.37
Rot. Bonds5

About N'-(6-morpholin-4-yl-5-nitropyrimidin-4-yl)pyridine-4-carbohydrazide

N'-(6-morpholin-4-yl-5-nitropyrimidin-4-yl)pyridine-4-carbohydrazide (PubChem CID 23489617) has the molecular formula C14H15N7O4 and a molecular weight of 345.32 g/mol. Its IUPAC name is N'-(6-morpholin-4-yl-5-nitropyrimidin-4-yl)pyridine-4-carbohydrazide.

Molecular Properties

Compound NameN'-(6-morpholin-4-yl-5-nitropyrimidin-4-yl)pyridine-4-carbohydrazide
PubChem CID23489617
Molecular FormulaC14H15N7O4
Molecular Weight345.32 g/mol
Exact Mass345.12
IUPAC NameN'-(6-morpholin-4-yl-5-nitropyrimidin-4-yl)pyridine-4-carbohydrazide
SMILESO=C(NNc1ncnc(N2CCOCC2)c1[N+](=O)[O-])c1ccncc1
InChIInChI=1S/C14H15N7O4/c22-14(10-1-3-15-4-2-10)19-18-12-11(21(23)24)13(17-9-16-12)20-5-7-25-8-6-20/h1-4,9H,5-8H2,(H,19,22)(H,16,17,18)
InChIKeyKDTRIOSTAAHREF-UHFFFAOYSA-N
XLogP0.37
TPSA135.41 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.32
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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-morpholin-4-yl-5-nitropyrimidin-4-yl)benzohydrazide
CID 23489598
N'-(6-morpholin-4-yl-5-nitropyrimidin-4-yl)furan-2-carbohydrazide
CID 23489620
4-bromo-N'-[6-[4-(4-fluorophenyl)piperazin-1-yl]-5-nitropyrimidin-4-yl]benzohydrazide
CID 22535480
N'-[6-[4-(4-fluorophenyl)piperazin-1-yl]-5-nitropyrimidin-4-yl]-4-methylbenzohydrazide
CID 22535126
N'-[6-[(4-methylpiperazin-1-yl)amino]-5-nitropyrimidin-4-yl]pyridine-4-carbohydrazide
CID 22526399
N'-[5-nitro-6-[2-(4-nitrophenyl)hydrazinyl]pyrimidin-4-yl]pyridine-4-carbohydrazide
CID 22526842
N'-[6-[4-(4-methoxyphenyl)piperazin-1-yl]-5-nitropyrimidin-4-yl]benzohydrazide
CID 23490887
4-chloro-N'-[6-[4-(4-methoxyphenyl)piperazin-1-yl]-5-nitropyrimidin-4-yl]benzohydrazide
CID 23490891
2-(2,4-dichlorophenoxy)-N'-(6-morpholin-4-yl-5-nitropyrimidin-4-yl)acetohydrazide
CID 23489626
2-chloro-N'-(5-nitro-6-pyrrolidin-1-ylpyrimidin-4-yl)benzohydrazide
CID 23489238
N'-[6-(3-methylpiperidin-1-yl)-5-nitropyrimidin-4-yl]-4-nitrobenzohydrazide
CID 23491965
N'-[6-(4-acetylanilino)-5-nitropyrimidin-4-yl]pyridine-4-carbohydrazide
CID 22533628

Frequently Asked Questions

What is the IUPAC name of N'-(6-morpholin-4-yl-5-nitropyrimidin-4-yl)pyridine-4-carbohydrazide?
The IUPAC name of N'-(6-morpholin-4-yl-5-nitropyrimidin-4-yl)pyridine-4-carbohydrazide (CID 23489617) is N'-(6-morpholin-4-yl-5-nitropyrimidin-4-yl)pyridine-4-carbohydrazide.
What is the SMILES notation for N'-(6-morpholin-4-yl-5-nitropyrimidin-4-yl)pyridine-4-carbohydrazide?
The canonical SMILES for N'-(6-morpholin-4-yl-5-nitropyrimidin-4-yl)pyridine-4-carbohydrazide is O=C(NNc1ncnc(N2CCOCC2)c1[N+](=O)[O-])c1ccncc1.
What is the InChIKey of N'-(6-morpholin-4-yl-5-nitropyrimidin-4-yl)pyridine-4-carbohydrazide?
The InChIKey is KDTRIOSTAAHREF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N7O4/c22-14(10-1-3-15-4-2-10)19-18-12-11(21(23)24)13(17-9-16-12)20-5-7-25-8-6-20/h1-4,9H,5-8H2,(H,19,22)(H,16,17,18).
What are the key properties of N'-(6-morpholin-4-yl-5-nitropyrimidin-4-yl)pyridine-4-carbohydrazide?
N'-(6-morpholin-4-yl-5-nitropyrimidin-4-yl)pyridine-4-carbohydrazide has a molecular weight of 345.32 g/mol, XLogP of 0.37, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(6-morpholin-4-yl-5-nitropyrimidin-4-yl)pyridine-4-carbohydrazide is sourced from PubChem (CID 23489617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).