N'-[6-(2-methylpiperidin-1-yl)-5-nitropyrimidin-4-yl]pyridine-3-carbohydrazide

C16H19N7O3 — CID 23492154

IUPACN'-[6-(2-methylpiperidin-1-yl)-5-nitropyrimidin-4-yl]pyridine-3-carbohydrazide
SMILESCC1CCCCN1c1ncnc(NNC(=O)c2cccnc2)c1[N+](=O)[O-]
InChIInChI=1S/C16H19N7O3/c1-11-5-2-3-8-22(11)15-13(23(25)26)14(18-10-19-15)20-21-16(24)12-6-4-7-17-9-12/h4,6-7,9-11H,2-3,5,8H2,1H3,(H,21,24)(H,18,19,20)
InChIKeyRDIINLKTZLQISQ-UHFFFAOYSA-N
MW357.37 g/mol
LogP1.92
Rot. Bonds5

About N'-[6-(2-methylpiperidin-1-yl)-5-nitropyrimidin-4-yl]pyridine-3-carbohydrazide

N'-[6-(2-methylpiperidin-1-yl)-5-nitropyrimidin-4-yl]pyridine-3-carbohydrazide (PubChem CID 23492154) has the molecular formula C16H19N7O3 and a molecular weight of 357.37 g/mol. Its IUPAC name is N'-[6-(2-methylpiperidin-1-yl)-5-nitropyrimidin-4-yl]pyridine-3-carbohydrazide.

Molecular Properties

Compound NameN'-[6-(2-methylpiperidin-1-yl)-5-nitropyrimidin-4-yl]pyridine-3-carbohydrazide
PubChem CID23492154
Molecular FormulaC16H19N7O3
Molecular Weight357.37 g/mol
Exact Mass357.15
IUPAC NameN'-[6-(2-methylpiperidin-1-yl)-5-nitropyrimidin-4-yl]pyridine-3-carbohydrazide
SMILESCC1CCCCN1c1ncnc(NNC(=O)c2cccnc2)c1[N+](=O)[O-]
InChIInChI=1S/C16H19N7O3/c1-11-5-2-3-8-22(11)15-13(23(25)26)14(18-10-19-15)20-21-16(24)12-6-4-7-17-9-12/h4,6-7,9-11H,2-3,5,8H2,1H3,(H,21,24)(H,18,19,20)
InChIKeyRDIINLKTZLQISQ-UHFFFAOYSA-N
XLogP1.92
TPSA126.18 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.37
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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-methyl-6-(2-methylpiperidin-1-yl)-5-nitropyrimidin-4-amine
CID 23486885
N'-[6-[(6-methyl-2-pyridinyl)amino]-5-nitropyrimidin-4-yl]pyridine-3-carbohydrazide
CID 23480909
6-(2-methylpiperidin-1-yl)-N-(4-methyl-2-pyridinyl)-5-nitropyrimidin-4-amine
CID 23483725
N-(2-bromophenyl)-6-(2-methylpiperidin-1-yl)-5-nitropyrimidin-4-amine
CID 23492107
N-(4-chlorophenyl)-6-(2-methylpiperidin-1-yl)-5-nitropyrimidin-4-amine
CID 23492114
N'-[5-nitro-6-(propylamino)pyrimidin-4-yl]pyridine-3-carbohydrazide
CID 23487391
N-(3,4-dichlorophenyl)-6-(2-methylpiperidin-1-yl)-5-nitropyrimidin-4-amine
CID 23485443
N'-[6-[2-(2-fluorobenzoyl)hydrazinyl]-5-nitropyrimidin-4-yl]pyridine-3-carbohydrazide
CID 22535775
2-methyl-N-[6-(2-methylpiperidin-1-yl)-5-nitropyrimidin-4-yl]quinolin-8-amine
CID 23492081
N'-[6-(2-morpholin-4-ylethylamino)-5-nitropyrimidin-4-yl]pyridine-3-carbohydrazide
CID 22536657
6-(2-methylpiperidin-1-yl)-5-nitro-N-prop-2-enylpyrimidin-4-amine
CID 23487885
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-(2-methylpiperidin-1-yl)-5-nitropyrimidin-4-yl]pyridine-3-carbohydrazide?
The IUPAC name of N'-[6-(2-methylpiperidin-1-yl)-5-nitropyrimidin-4-yl]pyridine-3-carbohydrazide (CID 23492154) is N'-[6-(2-methylpiperidin-1-yl)-5-nitropyrimidin-4-yl]pyridine-3-carbohydrazide.
What is the SMILES notation for N'-[6-(2-methylpiperidin-1-yl)-5-nitropyrimidin-4-yl]pyridine-3-carbohydrazide?
The canonical SMILES for N'-[6-(2-methylpiperidin-1-yl)-5-nitropyrimidin-4-yl]pyridine-3-carbohydrazide is CC1CCCCN1c1ncnc(NNC(=O)c2cccnc2)c1[N+](=O)[O-].
What is the InChIKey of N'-[6-(2-methylpiperidin-1-yl)-5-nitropyrimidin-4-yl]pyridine-3-carbohydrazide?
The InChIKey is RDIINLKTZLQISQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N7O3/c1-11-5-2-3-8-22(11)15-13(23(25)26)14(18-10-19-15)20-21-16(24)12-6-4-7-17-9-12/h4,6-7,9-11H,2-3,5,8H2,1H3,(H,21,24)(H,18,19,20).
What are the key properties of N'-[6-(2-methylpiperidin-1-yl)-5-nitropyrimidin-4-yl]pyridine-3-carbohydrazide?
N'-[6-(2-methylpiperidin-1-yl)-5-nitropyrimidin-4-yl]pyridine-3-carbohydrazide has a molecular weight of 357.37 g/mol, XLogP of 1.92, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[6-(2-methylpiperidin-1-yl)-5-nitropyrimidin-4-yl]pyridine-3-carbohydrazide is sourced from PubChem (CID 23492154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).