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

C16H14N8O3 — CID 22536714

IUPACN'-[6-[(5-methyl-2-pyridinyl)amino]-5-nitropyrimidin-4-yl]pyridine-2-carbohydrazide
SMILESCc1ccc(Nc2ncnc(NNC(=O)c3ccccn3)c2[N+](=O)[O-])nc1
InChIInChI=1S/C16H14N8O3/c1-10-5-6-12(18-8-10)21-14-13(24(26)27)15(20-9-19-14)22-23-16(25)11-4-2-3-7-17-11/h2-9H,1H3,(H,23,25)(H2,18,19,20,21,22)
InChIKeyRYMALCUIHVZROU-UHFFFAOYSA-N
MW366.34 g/mol
LogP1.98
Rot. Bonds6

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

N'-[6-[(5-methyl-2-pyridinyl)amino]-5-nitropyrimidin-4-yl]pyridine-2-carbohydrazide (PubChem CID 22536714) has the molecular formula C16H14N8O3 and a molecular weight of 366.34 g/mol. Its IUPAC name is N'-[6-[(5-methyl-2-pyridinyl)amino]-5-nitropyrimidin-4-yl]pyridine-2-carbohydrazide.

Molecular Properties

Compound NameN'-[6-[(5-methyl-2-pyridinyl)amino]-5-nitropyrimidin-4-yl]pyridine-2-carbohydrazide
PubChem CID22536714
Molecular FormulaC16H14N8O3
Molecular Weight366.34 g/mol
Exact Mass366.12
IUPAC NameN'-[6-[(5-methyl-2-pyridinyl)amino]-5-nitropyrimidin-4-yl]pyridine-2-carbohydrazide
SMILESCc1ccc(Nc2ncnc(NNC(=O)c3ccccn3)c2[N+](=O)[O-])nc1
InChIInChI=1S/C16H14N8O3/c1-10-5-6-12(18-8-10)21-14-13(24(26)27)15(20-9-19-14)22-23-16(25)11-4-2-3-7-17-11/h2-9H,1H3,(H,23,25)(H2,18,19,20,21,22)
InChIKeyRYMALCUIHVZROU-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-(2-benzoylhydrazinyl)-5-nitropyrimidin-4-yl]pyridine-2-carbohydrazide
CID 22535003
N'-(6-chloro-5-nitropyrimidin-4-yl)pyridine-2-carbohydrazide
CID 23477377
N'-[5-nitro-6-(pyridin-2-ylamino)pyrimidin-4-yl]benzohydrazide
CID 22531059
N'-[5-nitro-6-(propylamino)pyrimidin-4-yl]pyridine-2-carbohydrazide
CID 23487392
6-hydrazinyl-N-(5-methyl-2-pyridinyl)-5-nitropyrimidin-4-amine
CID 22534751
4-nitro-N'-[5-nitro-6-(pyridin-2-ylamino)pyrimidin-4-yl]benzohydrazide
CID 22531067
N'-[6-(2,4-dichloroanilino)-5-nitropyrimidin-4-yl]pyridine-2-carbohydrazide
CID 22534144
N'-[6-(diethylamino)-5-nitropyrimidin-4-yl]pyridine-2-carbohydrazide
CID 23488775
6-N-(4-chlorophenyl)-4-N-(5-methyl-2-pyridinyl)-5-nitropyrimidine-4,6-diamine
CID 22533008
N'-[6-(4-butoxyanilino)-5-nitropyrimidin-4-yl]pyridine-2-carbohydrazide
CID 23495159
5-nitro-4-N,6-N-dipyridin-2-ylpyrimidine-4,6-diamine
CID 3623508
4-N-cyclopentyl-6-N-(5-methyl-2-pyridinyl)-5-nitropyrimidine-4,6-diamine
CID 22538262

Frequently Asked Questions

What is the IUPAC name of N'-[6-[(5-methyl-2-pyridinyl)amino]-5-nitropyrimidin-4-yl]pyridine-2-carbohydrazide?
The IUPAC name of N'-[6-[(5-methyl-2-pyridinyl)amino]-5-nitropyrimidin-4-yl]pyridine-2-carbohydrazide (CID 22536714) is N'-[6-[(5-methyl-2-pyridinyl)amino]-5-nitropyrimidin-4-yl]pyridine-2-carbohydrazide.
What is the SMILES notation for N'-[6-[(5-methyl-2-pyridinyl)amino]-5-nitropyrimidin-4-yl]pyridine-2-carbohydrazide?
The canonical SMILES for N'-[6-[(5-methyl-2-pyridinyl)amino]-5-nitropyrimidin-4-yl]pyridine-2-carbohydrazide is Cc1ccc(Nc2ncnc(NNC(=O)c3ccccn3)c2[N+](=O)[O-])nc1.
What is the InChIKey of N'-[6-[(5-methyl-2-pyridinyl)amino]-5-nitropyrimidin-4-yl]pyridine-2-carbohydrazide?
The InChIKey is RYMALCUIHVZROU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N8O3/c1-10-5-6-12(18-8-10)21-14-13(24(26)27)15(20-9-19-14)22-23-16(25)11-4-2-3-7-17-11/h2-9H,1H3,(H,23,25)(H2,18,19,20,21,22).
What are the key properties of N'-[6-[(5-methyl-2-pyridinyl)amino]-5-nitropyrimidin-4-yl]pyridine-2-carbohydrazide?
N'-[6-[(5-methyl-2-pyridinyl)amino]-5-nitropyrimidin-4-yl]pyridine-2-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-[(5-methyl-2-pyridinyl)amino]-5-nitropyrimidin-4-yl]pyridine-2-carbohydrazide is sourced from PubChem (CID 22536714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).