2-(methylamino)-6-[[2-(1H-pyrazol-5-yl)-3-pyridinyl]methoxy]benzaldehyde

C17H16N4O2 — CID 138552520

IUPAC2-(methylamino)-6-[[2-(1H-pyrazol-5-yl)-3-pyridinyl]methoxy]benzaldehyde
SMILESCNc1cccc(OCc2cccnc2-c2ccn[nH]2)c1C=O
InChIInChI=1S/C17H16N4O2/c1-18-14-5-2-6-16(13(14)10-22)23-11-12-4-3-8-19-17(12)15-7-9-20-21-15/h2-10,18H,11H2,1H3,(H,20,21)
InChIKeyZVPDUDRLKRRVGI-UHFFFAOYSA-N
MW308.34 g/mol
LogP2.90
Rot. Bonds6

About 2-(methylamino)-6-[[2-(1H-pyrazol-5-yl)-3-pyridinyl]methoxy]benzaldehyde

2-(methylamino)-6-[[2-(1H-pyrazol-5-yl)-3-pyridinyl]methoxy]benzaldehyde (PubChem CID 138552520) has the molecular formula C17H16N4O2 and a molecular weight of 308.34 g/mol. Its IUPAC name is 2-(methylamino)-6-[[2-(1H-pyrazol-5-yl)-3-pyridinyl]methoxy]benzaldehyde.

Molecular Properties

Compound Name2-(methylamino)-6-[[2-(1H-pyrazol-5-yl)-3-pyridinyl]methoxy]benzaldehyde
PubChem CID138552520
Molecular FormulaC17H16N4O2
Molecular Weight308.34 g/mol
Exact Mass308.13
IUPAC Name2-(methylamino)-6-[[2-(1H-pyrazol-5-yl)-3-pyridinyl]methoxy]benzaldehyde
SMILESCNc1cccc(OCc2cccnc2-c2ccn[nH]2)c1C=O
InChIInChI=1S/C17H16N4O2/c1-18-14-5-2-6-16(13(14)10-22)23-11-12-4-3-8-19-17(12)15-7-9-20-21-15/h2-10,18H,11H2,1H3,(H,20,21)
InChIKeyZVPDUDRLKRRVGI-UHFFFAOYSA-N
XLogP2.90
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-[2-formyl-3-[[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]phenyl]carbamate
CID 129254362
2-[[2-(3-formylphenyl)-3-pyridinyl]methoxy]-6-hydroxybenzaldehyde
CID 146525241
6-[3-[(2-formyl-3-hydroxyphenoxy)methyl]-2-pyridinyl]pyridine-2-carbaldehyde
CID 146525171
ethane;2-hydroxy-6-[[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]benzaldehyde
CID 145401287
4-[3-[(2-formyl-3-hydroxyphenoxy)methyl]-2-pyridinyl]furan-2-carbaldehyde
CID 146525168
2-formyl-3-[[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]benzoic acid
CID 118869852
3-chloro-2-[(2-chloro-3-pyridinyl)oxymethyl]-N-methylaniline;formohydrazide
CID 144783928
3-[(2,3-dimethylphenoxy)methyl]-N-methylpyridin-2-amine
CID 62464069
2-[[2-(1-cyclopentylpyrrol-2-yl)-3-pyridinyl]methoxy]-6-hydroxybenzaldehyde
CID 90438070
3-(chloromethyl)-2-(2-propan-2-ylpyrazol-3-yl)pyridine;2,6-dihydroxybenzaldehyde;2-hydroxy-6-[[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]benzaldehyde;hydrochloride
CID 162079929
2,4-bis[[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]pyridine-3-carbaldehyde
CID 129254370
5-[[2-methanimidoyl-3-(methylamino)phenyl]methoxy]-2-methoxypyridine-4-carbaldehyde
CID 145045544

Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-6-[[2-(1H-pyrazol-5-yl)-3-pyridinyl]methoxy]benzaldehyde?
The IUPAC name of 2-(methylamino)-6-[[2-(1H-pyrazol-5-yl)-3-pyridinyl]methoxy]benzaldehyde (CID 138552520) is 2-(methylamino)-6-[[2-(1H-pyrazol-5-yl)-3-pyridinyl]methoxy]benzaldehyde.
What is the SMILES notation for 2-(methylamino)-6-[[2-(1H-pyrazol-5-yl)-3-pyridinyl]methoxy]benzaldehyde?
The canonical SMILES for 2-(methylamino)-6-[[2-(1H-pyrazol-5-yl)-3-pyridinyl]methoxy]benzaldehyde is CNc1cccc(OCc2cccnc2-c2ccn[nH]2)c1C=O.
What is the InChIKey of 2-(methylamino)-6-[[2-(1H-pyrazol-5-yl)-3-pyridinyl]methoxy]benzaldehyde?
The InChIKey is ZVPDUDRLKRRVGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O2/c1-18-14-5-2-6-16(13(14)10-22)23-11-12-4-3-8-19-17(12)15-7-9-20-21-15/h2-10,18H,11H2,1H3,(H,20,21).
What are the key properties of 2-(methylamino)-6-[[2-(1H-pyrazol-5-yl)-3-pyridinyl]methoxy]benzaldehyde?
2-(methylamino)-6-[[2-(1H-pyrazol-5-yl)-3-pyridinyl]methoxy]benzaldehyde has a molecular weight of 308.34 g/mol, XLogP of 2.90, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-6-[[2-(1H-pyrazol-5-yl)-3-pyridinyl]methoxy]benzaldehyde is sourced from PubChem (CID 138552520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).