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

C19H14N8O3 — CID 22536631

IUPACN'-[5-nitro-6-(quinolin-5-ylamino)pyrimidin-4-yl]pyridine-3-carbohydrazide
SMILESO=C(NNc1ncnc(Nc2cccc3ncccc23)c1[N+](=O)[O-])c1cccnc1
InChIInChI=1S/C19H14N8O3/c28-19(12-4-2-8-20-10-12)26-25-18-16(27(29)30)17(22-11-23-18)24-15-7-1-6-14-13(15)5-3-9-21-14/h1-11H,(H,26,28)(H2,22,23,24,25)
InChIKeySBZMXZZTZJYUNG-UHFFFAOYSA-N
MW402.37 g/mol
LogP2.83
Rot. Bonds6

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

N'-[5-nitro-6-(quinolin-5-ylamino)pyrimidin-4-yl]pyridine-3-carbohydrazide (PubChem CID 22536631) has the molecular formula C19H14N8O3 and a molecular weight of 402.37 g/mol. Its IUPAC name is N'-[5-nitro-6-(quinolin-5-ylamino)pyrimidin-4-yl]pyridine-3-carbohydrazide.

Molecular Properties

Compound NameN'-[5-nitro-6-(quinolin-5-ylamino)pyrimidin-4-yl]pyridine-3-carbohydrazide
PubChem CID22536631
Molecular FormulaC19H14N8O3
Molecular Weight402.37 g/mol
Exact Mass402.12
IUPAC NameN'-[5-nitro-6-(quinolin-5-ylamino)pyrimidin-4-yl]pyridine-3-carbohydrazide
SMILESO=C(NNc1ncnc(Nc2cccc3ncccc23)c1[N+](=O)[O-])c1cccnc1
InChIInChI=1S/C19H14N8O3/c28-19(12-4-2-8-20-10-12)26-25-18-16(27(29)30)17(22-11-23-18)24-15-7-1-6-14-13(15)5-3-9-21-14/h1-11H,(H,26,28)(H2,22,23,24,25)
InChIKeySBZMXZZTZJYUNG-UHFFFAOYSA-N
XLogP2.83
TPSA147.86 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.37
LogP ≤ 52.83
H-Bond Donors ≤ 53
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

4-methyl-N'-[5-nitro-6-(quinolin-5-ylamino)pyrimidin-4-yl]benzohydrazide
CID 22535108
5-nitro-4-N,6-N-di(quinolin-5-yl)pyrimidine-4,6-diamine
CID 22537644
2-chloro-N'-[5-nitro-6-(quinolin-5-ylamino)pyrimidin-4-yl]benzohydrazide
CID 22535872
4-chloro-3-nitro-N'-[5-nitro-6-(quinolin-5-ylamino)pyrimidin-4-yl]benzohydrazide
CID 22536262
2-methoxy-N'-[5-nitro-6-(quinolin-5-ylamino)pyrimidin-4-yl]benzohydrazide
CID 22536109
N'-[6-(2,5-difluoroanilino)-5-nitropyrimidin-4-yl]pyridine-3-carbohydrazide
CID 22536653
N'-[6-[(6-methyl-2-pyridinyl)amino]-5-nitropyrimidin-4-yl]pyridine-3-carbohydrazide
CID 23480909
N-[6-(2,2-dimethylhydrazinyl)-5-nitropyrimidin-4-yl]quinolin-5-amine
CID 22528153
N'-[6-[2-(2-fluorobenzoyl)hydrazinyl]-5-nitropyrimidin-4-yl]pyridine-3-carbohydrazide
CID 22535775
N'-[5-nitro-6-(propylamino)pyrimidin-4-yl]pyridine-3-carbohydrazide
CID 23487391
N'-[5-nitro-6-[4-(trifluoromethyl)anilino]pyrimidin-4-yl]pyridine-3-carbohydrazide
CID 22536651
N'-[6-[(2-chloro-3-pyridinyl)amino]-5-nitropyrimidin-4-yl]benzohydrazide
CID 22535060

Frequently Asked Questions

What is the IUPAC name of N'-[5-nitro-6-(quinolin-5-ylamino)pyrimidin-4-yl]pyridine-3-carbohydrazide?
The IUPAC name of N'-[5-nitro-6-(quinolin-5-ylamino)pyrimidin-4-yl]pyridine-3-carbohydrazide (CID 22536631) is N'-[5-nitro-6-(quinolin-5-ylamino)pyrimidin-4-yl]pyridine-3-carbohydrazide.
What is the SMILES notation for N'-[5-nitro-6-(quinolin-5-ylamino)pyrimidin-4-yl]pyridine-3-carbohydrazide?
The canonical SMILES for N'-[5-nitro-6-(quinolin-5-ylamino)pyrimidin-4-yl]pyridine-3-carbohydrazide is O=C(NNc1ncnc(Nc2cccc3ncccc23)c1[N+](=O)[O-])c1cccnc1.
What is the InChIKey of N'-[5-nitro-6-(quinolin-5-ylamino)pyrimidin-4-yl]pyridine-3-carbohydrazide?
The InChIKey is SBZMXZZTZJYUNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N8O3/c28-19(12-4-2-8-20-10-12)26-25-18-16(27(29)30)17(22-11-23-18)24-15-7-1-6-14-13(15)5-3-9-21-14/h1-11H,(H,26,28)(H2,22,23,24,25).
What are the key properties of N'-[5-nitro-6-(quinolin-5-ylamino)pyrimidin-4-yl]pyridine-3-carbohydrazide?
N'-[5-nitro-6-(quinolin-5-ylamino)pyrimidin-4-yl]pyridine-3-carbohydrazide has a molecular weight of 402.37 g/mol, XLogP of 2.83, 6 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[5-nitro-6-(quinolin-5-ylamino)pyrimidin-4-yl]pyridine-3-carbohydrazide is sourced from PubChem (CID 22536631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).