N'-[6-(4-acetylanilino)-5-nitropyrimidin-4-yl]pyridine-4-carbohydrazide

C18H15N7O4 — CID 22533628

IUPACN'-[6-(4-acetylanilino)-5-nitropyrimidin-4-yl]pyridine-4-carbohydrazide
SMILESCC(=O)c1ccc(Nc2ncnc(NNC(=O)c3ccncc3)c2[N+](=O)[O-])cc1
InChIInChI=1S/C18H15N7O4/c1-11(26)12-2-4-14(5-3-12)22-16-15(25(28)29)17(21-10-20-16)23-24-18(27)13-6-8-19-9-7-13/h2-10H,1H3,(H,24,27)(H2,20,21,22,23)
InChIKeyOVYPYEUVDFGSGT-UHFFFAOYSA-N
MW393.36 g/mol
LogP2.48
Rot. Bonds7

About N'-[6-(4-acetylanilino)-5-nitropyrimidin-4-yl]pyridine-4-carbohydrazide

N'-[6-(4-acetylanilino)-5-nitropyrimidin-4-yl]pyridine-4-carbohydrazide (PubChem CID 22533628) has the molecular formula C18H15N7O4 and a molecular weight of 393.36 g/mol. Its IUPAC name is N'-[6-(4-acetylanilino)-5-nitropyrimidin-4-yl]pyridine-4-carbohydrazide.

Molecular Properties

Compound NameN'-[6-(4-acetylanilino)-5-nitropyrimidin-4-yl]pyridine-4-carbohydrazide
PubChem CID22533628
Molecular FormulaC18H15N7O4
Molecular Weight393.36 g/mol
Exact Mass393.12
IUPAC NameN'-[6-(4-acetylanilino)-5-nitropyrimidin-4-yl]pyridine-4-carbohydrazide
SMILESCC(=O)c1ccc(Nc2ncnc(NNC(=O)c3ccncc3)c2[N+](=O)[O-])cc1
InChIInChI=1S/C18H15N7O4/c1-11(26)12-2-4-14(5-3-12)22-16-15(25(28)29)17(21-10-20-16)23-24-18(27)13-6-8-19-9-7-13/h2-10H,1H3,(H,24,27)(H2,20,21,22,23)
InChIKeyOVYPYEUVDFGSGT-UHFFFAOYSA-N
XLogP2.48
TPSA152.04 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.36
LogP ≤ 52.48
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-(4-acetylanilino)-5-nitropyrimidin-4-yl]benzohydrazide
CID 22533609
N'-[6-(3-methylanilino)-5-nitropyrimidin-4-yl]pyridine-4-carbohydrazide
CID 22532417
4-chloro-N'-[6-(4-chloroanilino)-5-nitropyrimidin-4-yl]benzohydrazide
CID 22532964
N'-[5-nitro-6-[2-(4-nitrophenyl)hydrazinyl]pyrimidin-4-yl]pyridine-4-carbohydrazide
CID 22526842
N'-[6-(4-acetylanilino)-5-nitropyrimidin-4-yl]-2-chlorobenzohydrazide
CID 22533619
1-[4-[[6-(4-methylanilino)-5-nitropyrimidin-4-yl]amino]phenyl]ethanone
CID 22532835
N'-[6-(3-acetylanilino)-5-nitropyrimidin-4-yl]-4-bromobenzohydrazide
CID 23486160
N'-(6-anilino-5-nitropyrimidin-4-yl)-4-methylbenzohydrazide
CID 22531806
N'-[6-(4-bromoanilino)-5-nitropyrimidin-4-yl]-4-nitrobenzohydrazide
CID 22533079
3-nitro-N'-[5-nitro-6-(pyridin-4-ylamino)pyrimidin-4-yl]benzohydrazide
CID 23482039
4-nitro-N'-[5-nitro-6-(4-propan-2-ylanilino)pyrimidin-4-yl]benzohydrazide
CID 23486576
methyl 4-[[6-[2-(4-fluorobenzoyl)hydrazinyl]-5-nitropyrimidin-4-yl]amino]benzoate
CID 22533720

Frequently Asked Questions

What is the IUPAC name of N'-[6-(4-acetylanilino)-5-nitropyrimidin-4-yl]pyridine-4-carbohydrazide?
The IUPAC name of N'-[6-(4-acetylanilino)-5-nitropyrimidin-4-yl]pyridine-4-carbohydrazide (CID 22533628) is N'-[6-(4-acetylanilino)-5-nitropyrimidin-4-yl]pyridine-4-carbohydrazide.
What is the SMILES notation for N'-[6-(4-acetylanilino)-5-nitropyrimidin-4-yl]pyridine-4-carbohydrazide?
The canonical SMILES for N'-[6-(4-acetylanilino)-5-nitropyrimidin-4-yl]pyridine-4-carbohydrazide is CC(=O)c1ccc(Nc2ncnc(NNC(=O)c3ccncc3)c2[N+](=O)[O-])cc1.
What is the InChIKey of N'-[6-(4-acetylanilino)-5-nitropyrimidin-4-yl]pyridine-4-carbohydrazide?
The InChIKey is OVYPYEUVDFGSGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N7O4/c1-11(26)12-2-4-14(5-3-12)22-16-15(25(28)29)17(21-10-20-16)23-24-18(27)13-6-8-19-9-7-13/h2-10H,1H3,(H,24,27)(H2,20,21,22,23).
What are the key properties of N'-[6-(4-acetylanilino)-5-nitropyrimidin-4-yl]pyridine-4-carbohydrazide?
N'-[6-(4-acetylanilino)-5-nitropyrimidin-4-yl]pyridine-4-carbohydrazide has a molecular weight of 393.36 g/mol, XLogP of 2.48, 7 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[6-(4-acetylanilino)-5-nitropyrimidin-4-yl]pyridine-4-carbohydrazide is sourced from PubChem (CID 22533628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).