N'-[6-(2-morpholin-4-ylethylamino)-5-nitropyrimidin-4-yl]pyridine-3-carbohydrazide

C16H20N8O4 — CID 22536657

IUPACN'-[6-(2-morpholin-4-ylethylamino)-5-nitropyrimidin-4-yl]pyridine-3-carbohydrazide
SMILESO=C(NNc1ncnc(NCCN2CCOCC2)c1[N+](=O)[O-])c1cccnc1
InChIInChI=1S/C16H20N8O4/c25-16(12-2-1-3-17-10-12)22-21-15-13(24(26)27)14(19-11-20-15)18-4-5-23-6-8-28-9-7-23/h1-3,10-11H,4-9H2,(H,22,25)(H2,18,19,20,21)
InChIKeyZLYNZSZUJBYFCC-UHFFFAOYSA-N
MW388.39 g/mol
LogP0.28
Rot. Bonds8

About N'-[6-(2-morpholin-4-ylethylamino)-5-nitropyrimidin-4-yl]pyridine-3-carbohydrazide

N'-[6-(2-morpholin-4-ylethylamino)-5-nitropyrimidin-4-yl]pyridine-3-carbohydrazide (PubChem CID 22536657) has the molecular formula C16H20N8O4 and a molecular weight of 388.39 g/mol. Its IUPAC name is N'-[6-(2-morpholin-4-ylethylamino)-5-nitropyrimidin-4-yl]pyridine-3-carbohydrazide.

Molecular Properties

Compound NameN'-[6-(2-morpholin-4-ylethylamino)-5-nitropyrimidin-4-yl]pyridine-3-carbohydrazide
PubChem CID22536657
Molecular FormulaC16H20N8O4
Molecular Weight388.39 g/mol
Exact Mass388.16
IUPAC NameN'-[6-(2-morpholin-4-ylethylamino)-5-nitropyrimidin-4-yl]pyridine-3-carbohydrazide
SMILESO=C(NNc1ncnc(NCCN2CCOCC2)c1[N+](=O)[O-])c1cccnc1
InChIInChI=1S/C16H20N8O4/c25-16(12-2-1-3-17-10-12)22-21-15-13(24(26)27)14(19-11-20-15)18-4-5-23-6-8-28-9-7-23/h1-3,10-11H,4-9H2,(H,22,25)(H2,18,19,20,21)
InChIKeyZLYNZSZUJBYFCC-UHFFFAOYSA-N
XLogP0.28
TPSA147.44 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.39
LogP ≤ 50.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

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-nitro-6-(propylamino)pyrimidin-4-yl]pyridine-3-carbohydrazide
CID 23487391
N'-[6-[2-(cyclohexen-1-yl)ethylamino]-5-nitropyrimidin-4-yl]pyridine-3-carbohydrazide
CID 22525943
1-[4-[[6-(2-morpholin-4-ylethylamino)-5-nitropyrimidin-4-yl]amino]phenyl]ethanone
CID 22533671
6-(2-tert-butylhydrazinyl)-N-(2-morpholin-4-ylethyl)-5-nitropyrimidin-4-amine
CID 22537557
N-(2-morpholin-4-ylethyl)-5-nitro-6-[2-(4-nitrophenyl)hydrazinyl]pyrimidin-4-amine
CID 22526884
4-N-(2-morpholin-4-ylethyl)-5-nitropyrimidine-4,6-diamine
CID 2959291
N-[4-[[6-(2-morpholin-4-ylethylamino)-5-nitropyrimidin-4-yl]amino]phenyl]acetamide
CID 22538128
N'-[6-[2-(3,4-dimethoxyphenyl)ethylamino]-5-nitropyrimidin-4-yl]pyridine-3-carbohydrazide
CID 23480210
2-nitro-N'-[5-nitro-6-(2-piperidin-1-ylethylamino)pyrimidin-4-yl]benzohydrazide
CID 22526083
4-N-(4-fluorophenyl)-6-N-(2-morpholin-4-ylethyl)-5-nitropyrimidine-4,6-diamine
CID 22533352
N'-[6-[2-(2-fluorobenzoyl)hydrazinyl]-5-nitropyrimidin-4-yl]pyridine-3-carbohydrazide
CID 22535775
6-N-(3-methoxypropyl)-4-N-(2-morpholin-4-ylethyl)-5-nitropyrimidine-4,6-diamine
CID 22526593

Frequently Asked Questions

What is the IUPAC name of N'-[6-(2-morpholin-4-ylethylamino)-5-nitropyrimidin-4-yl]pyridine-3-carbohydrazide?
The IUPAC name of N'-[6-(2-morpholin-4-ylethylamino)-5-nitropyrimidin-4-yl]pyridine-3-carbohydrazide (CID 22536657) is N'-[6-(2-morpholin-4-ylethylamino)-5-nitropyrimidin-4-yl]pyridine-3-carbohydrazide.
What is the SMILES notation for N'-[6-(2-morpholin-4-ylethylamino)-5-nitropyrimidin-4-yl]pyridine-3-carbohydrazide?
The canonical SMILES for N'-[6-(2-morpholin-4-ylethylamino)-5-nitropyrimidin-4-yl]pyridine-3-carbohydrazide is O=C(NNc1ncnc(NCCN2CCOCC2)c1[N+](=O)[O-])c1cccnc1.
What is the InChIKey of N'-[6-(2-morpholin-4-ylethylamino)-5-nitropyrimidin-4-yl]pyridine-3-carbohydrazide?
The InChIKey is ZLYNZSZUJBYFCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N8O4/c25-16(12-2-1-3-17-10-12)22-21-15-13(24(26)27)14(19-11-20-15)18-4-5-23-6-8-28-9-7-23/h1-3,10-11H,4-9H2,(H,22,25)(H2,18,19,20,21).
What are the key properties of N'-[6-(2-morpholin-4-ylethylamino)-5-nitropyrimidin-4-yl]pyridine-3-carbohydrazide?
N'-[6-(2-morpholin-4-ylethylamino)-5-nitropyrimidin-4-yl]pyridine-3-carbohydrazide has a molecular weight of 388.39 g/mol, XLogP of 0.28, 8 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[6-(2-morpholin-4-ylethylamino)-5-nitropyrimidin-4-yl]pyridine-3-carbohydrazide is sourced from PubChem (CID 22536657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).