6-[1-(4-cyanophenyl)pyrazol-4-yl]-N-(2-methoxyethyl)pyridine-3-carboxamide

C19H17N5O2 — CID 4268648

IUPAC6-[1-(4-cyanophenyl)pyrazol-4-yl]-N-(2-methoxyethyl)pyridine-3-carboxamide
SMILESCOCCNC(=O)c1ccc(-c2cnn(-c3ccc(C#N)cc3)c2)nc1
InChIInChI=1S/C19H17N5O2/c1-26-9-8-21-19(25)15-4-7-18(22-11-15)16-12-23-24(13-16)17-5-2-14(10-20)3-6-17/h2-7,11-13H,8-9H2,1H3,(H,21,25)
InChIKeyLMUSNIMEOIUVMB-UHFFFAOYSA-N
MW347.38 g/mol
LogP2.18
Rot. Bonds6

About 6-[1-(4-cyanophenyl)pyrazol-4-yl]-N-(2-methoxyethyl)pyridine-3-carboxamide

6-[1-(4-cyanophenyl)pyrazol-4-yl]-N-(2-methoxyethyl)pyridine-3-carboxamide (PubChem CID 4268648) has the molecular formula C19H17N5O2 and a molecular weight of 347.38 g/mol. Its IUPAC name is 6-[1-(4-cyanophenyl)pyrazol-4-yl]-N-(2-methoxyethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[1-(4-cyanophenyl)pyrazol-4-yl]-N-(2-methoxyethyl)pyridine-3-carboxamide
PubChem CID4268648
Molecular FormulaC19H17N5O2
Molecular Weight347.38 g/mol
Exact Mass347.14
IUPAC Name6-[1-(4-cyanophenyl)pyrazol-4-yl]-N-(2-methoxyethyl)pyridine-3-carboxamide
SMILESCOCCNC(=O)c1ccc(-c2cnn(-c3ccc(C#N)cc3)c2)nc1
InChIInChI=1S/C19H17N5O2/c1-26-9-8-21-19(25)15-4-7-18(22-11-15)16-12-23-24(13-16)17-5-2-14(10-20)3-6-17/h2-7,11-13H,8-9H2,1H3,(H,21,25)
InChIKeyLMUSNIMEOIUVMB-UHFFFAOYSA-N
XLogP2.18
TPSA92.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.38
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

6-(1-tert-butylpyrazol-4-yl)-N-(2-methoxyethyl)pyridine-3-carboxamide
CID 4116151
N-(2-methoxyethyl)-4-(4-pyridin-4-ylpyrazol-1-yl)benzamide
CID 3590372
4-[4-[5-(4-methylpiperazine-1-carbonyl)-2-pyridinyl]pyrazol-1-yl]benzonitrile
CID 3407693
6-[1-(4-chlorophenyl)pyrazol-4-yl]-N-(2-phenylethyl)pyridine-3-carboxamide
CID 4109180
6-[1-(4-chlorophenyl)pyrazol-4-yl]-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide
CID 4658115
6-[4-(4-cyanophenyl)-5-oxo-1H-pyrazol-2-yl]-N-(3-methoxypropyl)pyridine-3-carboxamide
CID 172825187
4-N-(4-cyanophenyl)-1-N-(2-methoxyethyl)benzene-1,4-dicarboxamide
CID 109045241
6-[1-(4-methylphenyl)pyrazol-4-yl]pyridine-3-carboxylic acid
CID 4236852
N-cyclopropyl-6-(1-phenylpyrazol-4-yl)pyridine-3-carboxamide
CID 4171890
N-(3-methoxypropyl)-6-phenylpyridine-3-carboxamide
CID 110683628
3-cyano-N-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]benzamide
CID 119105290
3-cyano-N-(2-methoxyethyl)benzamide
CID 24698142

Frequently Asked Questions

What is the IUPAC name of 6-[1-(4-cyanophenyl)pyrazol-4-yl]-N-(2-methoxyethyl)pyridine-3-carboxamide?
The IUPAC name of 6-[1-(4-cyanophenyl)pyrazol-4-yl]-N-(2-methoxyethyl)pyridine-3-carboxamide (CID 4268648) is 6-[1-(4-cyanophenyl)pyrazol-4-yl]-N-(2-methoxyethyl)pyridine-3-carboxamide.
What is the SMILES notation for 6-[1-(4-cyanophenyl)pyrazol-4-yl]-N-(2-methoxyethyl)pyridine-3-carboxamide?
The canonical SMILES for 6-[1-(4-cyanophenyl)pyrazol-4-yl]-N-(2-methoxyethyl)pyridine-3-carboxamide is COCCNC(=O)c1ccc(-c2cnn(-c3ccc(C#N)cc3)c2)nc1.
What is the InChIKey of 6-[1-(4-cyanophenyl)pyrazol-4-yl]-N-(2-methoxyethyl)pyridine-3-carboxamide?
The InChIKey is LMUSNIMEOIUVMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5O2/c1-26-9-8-21-19(25)15-4-7-18(22-11-15)16-12-23-24(13-16)17-5-2-14(10-20)3-6-17/h2-7,11-13H,8-9H2,1H3,(H,21,25).
What are the key properties of 6-[1-(4-cyanophenyl)pyrazol-4-yl]-N-(2-methoxyethyl)pyridine-3-carboxamide?
6-[1-(4-cyanophenyl)pyrazol-4-yl]-N-(2-methoxyethyl)pyridine-3-carboxamide has a molecular weight of 347.38 g/mol, XLogP of 2.18, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-(4-cyanophenyl)pyrazol-4-yl]-N-(2-methoxyethyl)pyridine-3-carboxamide is sourced from PubChem (CID 4268648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).