N'-[5-amino-6-(2-methoxyphenoxy)pyrimidin-4-yl]pyridine-4-carbohydrazide

C17H16N6O3 — CID 19151878

IUPACN'-[5-amino-6-(2-methoxyphenoxy)pyrimidin-4-yl]pyridine-4-carbohydrazide
SMILESCOc1ccccc1Oc1ncnc(NNC(=O)c2ccncc2)c1N
InChIInChI=1S/C17H16N6O3/c1-25-12-4-2-3-5-13(12)26-17-14(18)15(20-10-21-17)22-23-16(24)11-6-8-19-9-7-11/h2-10H,18H2,1H3,(H,23,24)(H,20,21,22)
InChIKeyLLDQODOIRAMTFD-UHFFFAOYSA-N
MW352.35 g/mol
LogP2.01
Rot. Bonds6

About N'-[5-amino-6-(2-methoxyphenoxy)pyrimidin-4-yl]pyridine-4-carbohydrazide

N'-[5-amino-6-(2-methoxyphenoxy)pyrimidin-4-yl]pyridine-4-carbohydrazide (PubChem CID 19151878) has the molecular formula C17H16N6O3 and a molecular weight of 352.35 g/mol. Its IUPAC name is N'-[5-amino-6-(2-methoxyphenoxy)pyrimidin-4-yl]pyridine-4-carbohydrazide.

Molecular Properties

Compound NameN'-[5-amino-6-(2-methoxyphenoxy)pyrimidin-4-yl]pyridine-4-carbohydrazide
PubChem CID19151878
Molecular FormulaC17H16N6O3
Molecular Weight352.35 g/mol
Exact Mass352.13
IUPAC NameN'-[5-amino-6-(2-methoxyphenoxy)pyrimidin-4-yl]pyridine-4-carbohydrazide
SMILESCOc1ccccc1Oc1ncnc(NNC(=O)c2ccncc2)c1N
InChIInChI=1S/C17H16N6O3/c1-25-12-4-2-3-5-13(12)26-17-14(18)15(20-10-21-17)22-23-16(24)11-6-8-19-9-7-11/h2-10H,18H2,1H3,(H,23,24)(H,20,21,22)
InChIKeyLLDQODOIRAMTFD-UHFFFAOYSA-N
XLogP2.01
TPSA124.28 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.35
LogP ≤ 52.01
H-Bond Donors ≤ 53
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-chloro-3,5-dimethylphenoxy)pyrimidin-4-yl]pyridine-4-carbohydrazide
CID 19151839
N'-[5-amino-6-(4-methoxyphenoxy)pyrimidin-4-yl]-4-methoxybenzohydrazide
CID 19151807
N'-(5-amino-6-pyridin-3-yloxypyrimidin-4-yl)benzohydrazide
CID 19150656
N'-(5,6-diaminopyrimidin-4-yl)pyridine-4-carbohydrazide
CID 19137173
N'-(5-amino-6-hydrazinylpyrimidin-4-yl)pyridine-4-carbohydrazide
CID 19150368
N'-[5-amino-6-(3,4-dimethylphenoxy)pyrimidin-4-yl]-4-methoxybenzohydrazide
CID 19151802
N'-(5-amino-6-naphthalen-1-yloxypyrimidin-4-yl)-4-chlorobenzohydrazide
CID 22541478
N'-[5-amino-6-(3,4-dimethylphenoxy)pyrimidin-4-yl]-2-methoxybenzohydrazide
CID 19151504
N'-(5-amino-6-ethoxypyrimidin-4-yl)-2-methoxybenzohydrazide
CID 19151456
N'-[5-amino-6-[2-(2-chlorobenzoyl)hydrazinyl]pyrimidin-4-yl]pyridine-4-carbohydrazide
CID 19151292
6-(2-methoxyphenoxy)-4-N-methylpyrimidine-4,5-diamine
CID 19135149
N'-[5-amino-6-[2-(2-bromobenzoyl)hydrazinyl]pyrimidin-4-yl]pyridine-4-carbohydrazide
CID 19151370

Frequently Asked Questions

What is the IUPAC name of N'-[5-amino-6-(2-methoxyphenoxy)pyrimidin-4-yl]pyridine-4-carbohydrazide?
The IUPAC name of N'-[5-amino-6-(2-methoxyphenoxy)pyrimidin-4-yl]pyridine-4-carbohydrazide (CID 19151878) is N'-[5-amino-6-(2-methoxyphenoxy)pyrimidin-4-yl]pyridine-4-carbohydrazide.
What is the SMILES notation for N'-[5-amino-6-(2-methoxyphenoxy)pyrimidin-4-yl]pyridine-4-carbohydrazide?
The canonical SMILES for N'-[5-amino-6-(2-methoxyphenoxy)pyrimidin-4-yl]pyridine-4-carbohydrazide is COc1ccccc1Oc1ncnc(NNC(=O)c2ccncc2)c1N.
What is the InChIKey of N'-[5-amino-6-(2-methoxyphenoxy)pyrimidin-4-yl]pyridine-4-carbohydrazide?
The InChIKey is LLDQODOIRAMTFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N6O3/c1-25-12-4-2-3-5-13(12)26-17-14(18)15(20-10-21-17)22-23-16(24)11-6-8-19-9-7-11/h2-10H,18H2,1H3,(H,23,24)(H,20,21,22).
What are the key properties of N'-[5-amino-6-(2-methoxyphenoxy)pyrimidin-4-yl]pyridine-4-carbohydrazide?
N'-[5-amino-6-(2-methoxyphenoxy)pyrimidin-4-yl]pyridine-4-carbohydrazide has a molecular weight of 352.35 g/mol, XLogP of 2.01, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[5-amino-6-(2-methoxyphenoxy)pyrimidin-4-yl]pyridine-4-carbohydrazide is sourced from PubChem (CID 19151878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).