N'-[6-[(6-methyl-2-pyridinyl)amino]-5-nitropyrimidin-4-yl]pyridine-3-carbohydrazide

C16H14N8O3 — CID 23480909

IUPACN'-[6-[(6-methyl-2-pyridinyl)amino]-5-nitropyrimidin-4-yl]pyridine-3-carbohydrazide
SMILESCc1cccc(Nc2ncnc(NNC(=O)c3cccnc3)c2[N+](=O)[O-])n1
InChIInChI=1S/C16H14N8O3/c1-10-4-2-6-12(20-10)21-14-13(24(26)27)15(19-9-18-14)22-23-16(25)11-5-3-7-17-8-11/h2-9H,1H3,(H,23,25)(H2,18,19,20,21,22)
InChIKeyAYLVQXVKZYAFSE-UHFFFAOYSA-N
MW366.34 g/mol
LogP1.98
Rot. Bonds6

About N'-[6-[(6-methyl-2-pyridinyl)amino]-5-nitropyrimidin-4-yl]pyridine-3-carbohydrazide

N'-[6-[(6-methyl-2-pyridinyl)amino]-5-nitropyrimidin-4-yl]pyridine-3-carbohydrazide (PubChem CID 23480909) has the molecular formula C16H14N8O3 and a molecular weight of 366.34 g/mol. Its IUPAC name is N'-[6-[(6-methyl-2-pyridinyl)amino]-5-nitropyrimidin-4-yl]pyridine-3-carbohydrazide.

Molecular Properties

Compound NameN'-[6-[(6-methyl-2-pyridinyl)amino]-5-nitropyrimidin-4-yl]pyridine-3-carbohydrazide
PubChem CID23480909
Molecular FormulaC16H14N8O3
Molecular Weight366.34 g/mol
Exact Mass366.12
IUPAC NameN'-[6-[(6-methyl-2-pyridinyl)amino]-5-nitropyrimidin-4-yl]pyridine-3-carbohydrazide
SMILESCc1cccc(Nc2ncnc(NNC(=O)c3cccnc3)c2[N+](=O)[O-])n1
InChIInChI=1S/C16H14N8O3/c1-10-4-2-6-12(20-10)21-14-13(24(26)27)15(19-9-18-14)22-23-16(25)11-5-3-7-17-8-11/h2-9H,1H3,(H,23,25)(H2,18,19,20,21,22)
InChIKeyAYLVQXVKZYAFSE-UHFFFAOYSA-N
XLogP1.98
TPSA147.86 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.34
LogP ≤ 51.98
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

N'-[6-[(6-methyl-2-pyridinyl)amino]-5-nitropyrimidin-4-yl]-3-nitrobenzohydrazide
CID 23480901
N'-[6-[(4-methyl-1,3-benzothiazol-2-yl)amino]-5-nitropyrimidin-4-yl]pyridine-3-carbohydrazide
CID 22534342
N'-[5-nitro-6-(propylamino)pyrimidin-4-yl]pyridine-3-carbohydrazide
CID 23487391
N'-[5-nitro-6-(quinolin-5-ylamino)pyrimidin-4-yl]pyridine-3-carbohydrazide
CID 22536631
2-methoxy-N'-[6-[(6-methyl-2-pyridinyl)amino]-5-nitropyrimidin-4-yl]benzohydrazide
CID 23480902
N-(6-methyl-2-pyridinyl)-5-nitro-6-pyridin-3-yloxypyrimidin-4-amine
CID 23480933
N'-[6-[2-(2-fluorobenzoyl)hydrazinyl]-5-nitropyrimidin-4-yl]pyridine-3-carbohydrazide
CID 22535775
N'-[5-nitro-6-[4-(trifluoromethyl)anilino]pyrimidin-4-yl]pyridine-3-carbohydrazide
CID 22536651
N'-[6-(2,5-difluoroanilino)-5-nitropyrimidin-4-yl]pyridine-3-carbohydrazide
CID 22536653
N'-[5-nitro-6-(pyridin-2-ylamino)pyrimidin-4-yl]benzohydrazide
CID 22531059
N'-[6-(4-butylanilino)-5-nitropyrimidin-4-yl]pyridine-3-carbohydrazide
CID 23478544
N'-[6-[2-(4-chloro-3-nitrobenzoyl)hydrazinyl]-5-nitropyrimidin-4-yl]pyridine-3-carbohydrazide
CID 22536247

Frequently Asked Questions

What is the IUPAC name of N'-[6-[(6-methyl-2-pyridinyl)amino]-5-nitropyrimidin-4-yl]pyridine-3-carbohydrazide?
The IUPAC name of N'-[6-[(6-methyl-2-pyridinyl)amino]-5-nitropyrimidin-4-yl]pyridine-3-carbohydrazide (CID 23480909) is N'-[6-[(6-methyl-2-pyridinyl)amino]-5-nitropyrimidin-4-yl]pyridine-3-carbohydrazide.
What is the SMILES notation for N'-[6-[(6-methyl-2-pyridinyl)amino]-5-nitropyrimidin-4-yl]pyridine-3-carbohydrazide?
The canonical SMILES for N'-[6-[(6-methyl-2-pyridinyl)amino]-5-nitropyrimidin-4-yl]pyridine-3-carbohydrazide is Cc1cccc(Nc2ncnc(NNC(=O)c3cccnc3)c2[N+](=O)[O-])n1.
What is the InChIKey of N'-[6-[(6-methyl-2-pyridinyl)amino]-5-nitropyrimidin-4-yl]pyridine-3-carbohydrazide?
The InChIKey is AYLVQXVKZYAFSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N8O3/c1-10-4-2-6-12(20-10)21-14-13(24(26)27)15(19-9-18-14)22-23-16(25)11-5-3-7-17-8-11/h2-9H,1H3,(H,23,25)(H2,18,19,20,21,22).
What are the key properties of N'-[6-[(6-methyl-2-pyridinyl)amino]-5-nitropyrimidin-4-yl]pyridine-3-carbohydrazide?
N'-[6-[(6-methyl-2-pyridinyl)amino]-5-nitropyrimidin-4-yl]pyridine-3-carbohydrazide has a molecular weight of 366.34 g/mol, XLogP of 1.98, 6 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[6-[(6-methyl-2-pyridinyl)amino]-5-nitropyrimidin-4-yl]pyridine-3-carbohydrazide is sourced from PubChem (CID 23480909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).