N'-[6-[(4-methylpiperazin-1-yl)amino]-5-nitropyrimidin-4-yl]pyridine-4-carbohydrazide

C15H19N9O3 — CID 22526399

IUPACN'-[6-[(4-methylpiperazin-1-yl)amino]-5-nitropyrimidin-4-yl]pyridine-4-carbohydrazide
SMILESCN1CCN(Nc2ncnc(NNC(=O)c3ccncc3)c2[N+](=O)[O-])CC1
InChIInChI=1S/C15H19N9O3/c1-22-6-8-23(9-7-22)21-14-12(24(26)27)13(17-10-18-14)19-20-15(25)11-2-4-16-5-3-11/h2-5,10H,6-9H2,1H3,(H,20,25)(H2,17,18,19,21)
InChIKeyYBCUUJYTQHDHHB-UHFFFAOYSA-N
MW373.38 g/mol
LogP0.11
Rot. Bonds6

About N'-[6-[(4-methylpiperazin-1-yl)amino]-5-nitropyrimidin-4-yl]pyridine-4-carbohydrazide

N'-[6-[(4-methylpiperazin-1-yl)amino]-5-nitropyrimidin-4-yl]pyridine-4-carbohydrazide (PubChem CID 22526399) has the molecular formula C15H19N9O3 and a molecular weight of 373.38 g/mol. Its IUPAC name is N'-[6-[(4-methylpiperazin-1-yl)amino]-5-nitropyrimidin-4-yl]pyridine-4-carbohydrazide.

Molecular Properties

Compound NameN'-[6-[(4-methylpiperazin-1-yl)amino]-5-nitropyrimidin-4-yl]pyridine-4-carbohydrazide
PubChem CID22526399
Molecular FormulaC15H19N9O3
Molecular Weight373.38 g/mol
Exact Mass373.16
IUPAC NameN'-[6-[(4-methylpiperazin-1-yl)amino]-5-nitropyrimidin-4-yl]pyridine-4-carbohydrazide
SMILESCN1CCN(Nc2ncnc(NNC(=O)c3ccncc3)c2[N+](=O)[O-])CC1
InChIInChI=1S/C15H19N9O3/c1-22-6-8-23(9-7-22)21-14-12(24(26)27)13(17-10-18-14)19-20-15(25)11-2-4-16-5-3-11/h2-5,10H,6-9H2,1H3,(H,20,25)(H2,17,18,19,21)
InChIKeyYBCUUJYTQHDHHB-UHFFFAOYSA-N
XLogP0.11
TPSA141.45 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.38
LogP ≤ 50.11
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

2,4-dichloro-N'-[6-[(4-methylpiperazin-1-yl)amino]-5-nitropyrimidin-4-yl]benzohydrazide
CID 22526397
6-(2-tert-butylhydrazinyl)-N-(4-methylpiperazin-1-yl)-5-nitropyrimidin-4-amine
CID 22526414
N'-[6-(4-acetylanilino)-5-nitropyrimidin-4-yl]pyridine-4-carbohydrazide
CID 22533628
N'-(6-morpholin-4-yl-5-nitropyrimidin-4-yl)pyridine-4-carbohydrazide
CID 23489617
N'-[5-nitro-6-[2-(4-nitrophenyl)hydrazinyl]pyrimidin-4-yl]pyridine-4-carbohydrazide
CID 22526842
N'-[6-(3-methylanilino)-5-nitropyrimidin-4-yl]pyridine-4-carbohydrazide
CID 22532417
N'-[6-[2-(2-fluorobenzoyl)hydrazinyl]-5-nitropyrimidin-4-yl]pyridine-4-carbohydrazide
CID 22535774
4-N-(4-methylpiperazin-1-yl)-5-nitro-6-N-(1,3-thiazol-2-yl)pyrimidine-4,6-diamine
CID 22526349
6-N-(4-iodophenyl)-4-N-(4-methylpiperazin-1-yl)-5-nitropyrimidine-4,6-diamine
CID 22526362
N'-[6-(2,2-diphenylhydrazinyl)-5-nitropyrimidin-4-yl]pyridine-4-carbohydrazide
CID 22530692
6-N-(2,5-dichlorophenyl)-4-N-(4-methylpiperazin-1-yl)-5-nitropyrimidine-4,6-diamine
CID 22526342
methyl 2-[[5-nitro-6-[2-(pyridine-4-carbonyl)hydrazinyl]pyrimidin-4-yl]amino]benzoate
CID 22528818

Frequently Asked Questions

What is the IUPAC name of N'-[6-[(4-methylpiperazin-1-yl)amino]-5-nitropyrimidin-4-yl]pyridine-4-carbohydrazide?
The IUPAC name of N'-[6-[(4-methylpiperazin-1-yl)amino]-5-nitropyrimidin-4-yl]pyridine-4-carbohydrazide (CID 22526399) is N'-[6-[(4-methylpiperazin-1-yl)amino]-5-nitropyrimidin-4-yl]pyridine-4-carbohydrazide.
What is the SMILES notation for N'-[6-[(4-methylpiperazin-1-yl)amino]-5-nitropyrimidin-4-yl]pyridine-4-carbohydrazide?
The canonical SMILES for N'-[6-[(4-methylpiperazin-1-yl)amino]-5-nitropyrimidin-4-yl]pyridine-4-carbohydrazide is CN1CCN(Nc2ncnc(NNC(=O)c3ccncc3)c2[N+](=O)[O-])CC1.
What is the InChIKey of N'-[6-[(4-methylpiperazin-1-yl)amino]-5-nitropyrimidin-4-yl]pyridine-4-carbohydrazide?
The InChIKey is YBCUUJYTQHDHHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N9O3/c1-22-6-8-23(9-7-22)21-14-12(24(26)27)13(17-10-18-14)19-20-15(25)11-2-4-16-5-3-11/h2-5,10H,6-9H2,1H3,(H,20,25)(H2,17,18,19,21).
What are the key properties of N'-[6-[(4-methylpiperazin-1-yl)amino]-5-nitropyrimidin-4-yl]pyridine-4-carbohydrazide?
N'-[6-[(4-methylpiperazin-1-yl)amino]-5-nitropyrimidin-4-yl]pyridine-4-carbohydrazide has a molecular weight of 373.38 g/mol, XLogP of 0.11, 6 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[6-[(4-methylpiperazin-1-yl)amino]-5-nitropyrimidin-4-yl]pyridine-4-carbohydrazide is sourced from PubChem (CID 22526399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).