2-(5-methoxy-3-pyridinyl)-N-(1-methylpyrazol-4-yl)benzamide

C17H16N4O2 — CID 175665086

IUPAC2-(5-methoxy-3-pyridinyl)-N-(1-methylpyrazol-4-yl)benzamide
SMILESCOc1cncc(-c2ccccc2C(=O)Nc2cnn(C)c2)c1
InChIInChI=1S/C17H16N4O2/c1-21-11-13(9-19-21)20-17(22)16-6-4-3-5-15(16)12-7-14(23-2)10-18-8-12/h3-11H,1-2H3,(H,20,22)
InChIKeyIIBHKLQHOHXRCH-UHFFFAOYSA-N
MW308.34 g/mol
LogP2.74
Rot. Bonds4

About 2-(5-methoxy-3-pyridinyl)-N-(1-methylpyrazol-4-yl)benzamide

2-(5-methoxy-3-pyridinyl)-N-(1-methylpyrazol-4-yl)benzamide (PubChem CID 175665086) has the molecular formula C17H16N4O2 and a molecular weight of 308.34 g/mol. Its IUPAC name is 2-(5-methoxy-3-pyridinyl)-N-(1-methylpyrazol-4-yl)benzamide.

Molecular Properties

Compound Name2-(5-methoxy-3-pyridinyl)-N-(1-methylpyrazol-4-yl)benzamide
PubChem CID175665086
Molecular FormulaC17H16N4O2
Molecular Weight308.34 g/mol
Exact Mass308.13
IUPAC Name2-(5-methoxy-3-pyridinyl)-N-(1-methylpyrazol-4-yl)benzamide
SMILESCOc1cncc(-c2ccccc2C(=O)Nc2cnn(C)c2)c1
InChIInChI=1S/C17H16N4O2/c1-21-11-13(9-19-21)20-17(22)16-6-4-3-5-15(16)12-7-14(23-2)10-18-8-12/h3-11H,1-2H3,(H,20,22)
InChIKeyIIBHKLQHOHXRCH-UHFFFAOYSA-N
XLogP2.74
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-(4-(2-methoxyphenyl)piperazin-1-yl)ethyl)H-pyrazolo[1,5-a]pyridine-3-carboxamide
CID 11057969
(17R)-20-amino-14-fluoro-4,6,9,17-tetramethyl-18-oxa-5,6,9,21-tetrazatetracyclo[17.3.1.03,7.011,16]tricosa-1(23),3(7),4,11(16),12,14,19,21-octaen-10-one
CID 155563111
3-[(4-bromo-1H-pyrazol-1-yl)methyl]-N-(6-methoxy-3-pyridinyl)benzamide
CID 1235939
2-[4-[5-(5,6-Dimethoxy-3-pyridyl)-1-oxo-isoindolin-2-yl]pyrazol-1-yl]acetonitrile
CID 53327266
2-{[(4-Fluorophenyl)methyl]oxy}-5-(1-methyl-1H-pyrazol-4-yl)-N-3-pyridinylbenzamide
CID 67107333
5-(1-methylpyrazol-4-yl)-2-phenylmethoxy-N-pyridin-3-ylbenzamide
CID 69937003
4-(4-Fluorophenyl)-5-[(1-methylpyrazol-3-yl)methoxy]pyridine-2-carboxamide
CID 122539788
5-[[3-[(4-Pyrazol-1-ylbenzoyl)amino]phenyl]methoxy]pyridine-3-carboxamide
CID 124162056
3-[2-[2-amino-5-(1-methylpyrazol-4-yl)-3-pyridinyl]ethynyl]-N-(2-methoxyphenyl)-4-methylbenzamide
CID 155515039
N-(5-((2S,5R,6R)-5-Amino-6-fluorooxepan-2-yl)-1-methyl-1H-pyrazol-4-yl)-6-(2,6-difluoro-4-methoxyphenyl)-5-fluoropicolinamide
CID 73437807
N-(5-((2S,5R,6S)-5-amino-6-fluorooxepan-2-yl)-1-methyl-1H-pyrazol-4-yl)-6-(2,6-difluoro-4-methoxyphenyl)-5-fluoropicolinamide
CID 73438188
N-(5-((2S,5R,6S)-5-amino-6-fluorooxepan-2-yl)-1-methyl-1H-pyrazol-4-yl)-5-fluoro-6-(2-fluoro-4-methoxyphenyl)picolinamide
CID 86713898

Frequently Asked Questions

What is the IUPAC name of 2-(5-methoxy-3-pyridinyl)-N-(1-methylpyrazol-4-yl)benzamide?
The IUPAC name of 2-(5-methoxy-3-pyridinyl)-N-(1-methylpyrazol-4-yl)benzamide (CID 175665086) is 2-(5-methoxy-3-pyridinyl)-N-(1-methylpyrazol-4-yl)benzamide.
What is the SMILES notation for 2-(5-methoxy-3-pyridinyl)-N-(1-methylpyrazol-4-yl)benzamide?
The canonical SMILES for 2-(5-methoxy-3-pyridinyl)-N-(1-methylpyrazol-4-yl)benzamide is COc1cncc(-c2ccccc2C(=O)Nc2cnn(C)c2)c1.
What is the InChIKey of 2-(5-methoxy-3-pyridinyl)-N-(1-methylpyrazol-4-yl)benzamide?
The InChIKey is IIBHKLQHOHXRCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O2/c1-21-11-13(9-19-21)20-17(22)16-6-4-3-5-15(16)12-7-14(23-2)10-18-8-12/h3-11H,1-2H3,(H,20,22).
What are the key properties of 2-(5-methoxy-3-pyridinyl)-N-(1-methylpyrazol-4-yl)benzamide?
2-(5-methoxy-3-pyridinyl)-N-(1-methylpyrazol-4-yl)benzamide has a molecular weight of 308.34 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methoxy-3-pyridinyl)-N-(1-methylpyrazol-4-yl)benzamide is sourced from PubChem (CID 175665086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).