N'-[5-amino-6-(4-ethoxyanilino)pyrimidin-4-yl]pyridine-4-carbohydrazide

C18H19N7O2 — CID 19149224

IUPACN'-[5-amino-6-(4-ethoxyanilino)pyrimidin-4-yl]pyridine-4-carbohydrazide
SMILESCCOc1ccc(Nc2ncnc(NNC(=O)c3ccncc3)c2N)cc1
InChIInChI=1S/C18H19N7O2/c1-2-27-14-5-3-13(4-6-14)23-16-15(19)17(22-11-21-16)24-25-18(26)12-7-9-20-10-8-12/h3-11H,2,19H2,1H3,(H,25,26)(H2,21,22,23,24)
InChIKeyUNPIXCRTWCIOPA-UHFFFAOYSA-N
MW365.40 g/mol
LogP2.35
Rot. Bonds7

About N'-[5-amino-6-(4-ethoxyanilino)pyrimidin-4-yl]pyridine-4-carbohydrazide

N'-[5-amino-6-(4-ethoxyanilino)pyrimidin-4-yl]pyridine-4-carbohydrazide (PubChem CID 19149224) has the molecular formula C18H19N7O2 and a molecular weight of 365.40 g/mol. Its IUPAC name is N'-[5-amino-6-(4-ethoxyanilino)pyrimidin-4-yl]pyridine-4-carbohydrazide.

Molecular Properties

Compound NameN'-[5-amino-6-(4-ethoxyanilino)pyrimidin-4-yl]pyridine-4-carbohydrazide
PubChem CID19149224
Molecular FormulaC18H19N7O2
Molecular Weight365.40 g/mol
Exact Mass365.16
IUPAC NameN'-[5-amino-6-(4-ethoxyanilino)pyrimidin-4-yl]pyridine-4-carbohydrazide
SMILESCCOc1ccc(Nc2ncnc(NNC(=O)c3ccncc3)c2N)cc1
InChIInChI=1S/C18H19N7O2/c1-2-27-14-5-3-13(4-6-14)23-16-15(19)17(22-11-21-16)24-25-18(26)12-7-9-20-10-8-12/h3-11H,2,19H2,1H3,(H,25,26)(H2,21,22,23,24)
InChIKeyUNPIXCRTWCIOPA-UHFFFAOYSA-N
XLogP2.35
TPSA127.08 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.40
LogP ≤ 52.35
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-[5-amino-6-(4-ethoxyanilino)pyrimidin-4-yl]-4-fluorobenzohydrazide
CID 19149215
N'-[5-amino-6-(pyridin-4-ylamino)pyrimidin-4-yl]-4-methoxybenzohydrazide
CID 22543504
4-[[5-amino-6-(4-ethoxyanilino)pyrimidin-4-yl]amino]benzoic acid
CID 19149280
4-[[5-amino-6-[2-(4-methoxybenzoyl)hydrazinyl]pyrimidin-4-yl]amino]benzoic acid
CID 19151801
N'-[5-amino-6-(4-methylanilino)pyrimidin-4-yl]-4-methylbenzohydrazide
CID 19148584
N'-(4-ethoxybenzoyl)pyridine-4-carbohydrazide
CID 959949
N'-(5,6-diaminopyrimidin-4-yl)pyridine-4-carbohydrazide
CID 19137173
N'-(5-amino-6-hydrazinylpyrimidin-4-yl)pyridine-4-carbohydrazide
CID 19150368
N'-[6-(4-ethoxyanilino)-5-nitropyrimidin-4-yl]-4-methylbenzohydrazide
CID 22533505
N'-[5-amino-6-(4-phenoxyanilino)pyrimidin-4-yl]pyridine-3-carbohydrazide
CID 19151939
4-N-(4-ethoxyphenyl)-6-N-phenylpyrimidine-4,5,6-triamine
CID 19147676
N-[4-[[5-amino-6-(2-benzoylhydrazinyl)pyrimidin-4-yl]amino]phenyl]acetamide
CID 19150657

Frequently Asked Questions

What is the IUPAC name of N'-[5-amino-6-(4-ethoxyanilino)pyrimidin-4-yl]pyridine-4-carbohydrazide?
The IUPAC name of N'-[5-amino-6-(4-ethoxyanilino)pyrimidin-4-yl]pyridine-4-carbohydrazide (CID 19149224) is N'-[5-amino-6-(4-ethoxyanilino)pyrimidin-4-yl]pyridine-4-carbohydrazide.
What is the SMILES notation for N'-[5-amino-6-(4-ethoxyanilino)pyrimidin-4-yl]pyridine-4-carbohydrazide?
The canonical SMILES for N'-[5-amino-6-(4-ethoxyanilino)pyrimidin-4-yl]pyridine-4-carbohydrazide is CCOc1ccc(Nc2ncnc(NNC(=O)c3ccncc3)c2N)cc1.
What is the InChIKey of N'-[5-amino-6-(4-ethoxyanilino)pyrimidin-4-yl]pyridine-4-carbohydrazide?
The InChIKey is UNPIXCRTWCIOPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N7O2/c1-2-27-14-5-3-13(4-6-14)23-16-15(19)17(22-11-21-16)24-25-18(26)12-7-9-20-10-8-12/h3-11H,2,19H2,1H3,(H,25,26)(H2,21,22,23,24).
What are the key properties of N'-[5-amino-6-(4-ethoxyanilino)pyrimidin-4-yl]pyridine-4-carbohydrazide?
N'-[5-amino-6-(4-ethoxyanilino)pyrimidin-4-yl]pyridine-4-carbohydrazide has a molecular weight of 365.40 g/mol, XLogP of 2.35, 7 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[5-amino-6-(4-ethoxyanilino)pyrimidin-4-yl]pyridine-4-carbohydrazide is sourced from PubChem (CID 19149224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).