6-[4-[4-(cyanomethoxy)phenyl]-5-oxo-1H-pyrazol-2-yl]-N-[1-(2-methoxyethyl)cyclopropyl]pyridine-3-carboxamide

C23H23N5O4 — CID 172733582

IUPAC6-[4-[4-(cyanomethoxy)phenyl]-5-oxo-1H-pyrazol-2-yl]-N-[1-(2-methoxyethyl)cyclopropyl]pyridine-3-carboxamide
SMILESCOCCC1(NC(=O)c2ccc(-n3cc(-c4ccc(OCC#N)cc4)c(=O)[nH]3)nc2)CC1
InChIInChI=1S/C23H23N5O4/c1-31-12-10-23(8-9-23)26-21(29)17-4-7-20(25-14-17)28-15-19(22(30)27-28)16-2-5-18(6-3-16)32-13-11-24/h2-7,14-15H,8-10,12-13H2,1H3,(H,26,29)(H,27,30)
InChIKeyICXJJILMOSFBRJ-UHFFFAOYSA-N
MW433.47 g/mol
LogP2.43
Rot. Bonds9

About 6-[4-[4-(cyanomethoxy)phenyl]-5-oxo-1H-pyrazol-2-yl]-N-[1-(2-methoxyethyl)cyclopropyl]pyridine-3-carboxamide

6-[4-[4-(cyanomethoxy)phenyl]-5-oxo-1H-pyrazol-2-yl]-N-[1-(2-methoxyethyl)cyclopropyl]pyridine-3-carboxamide (PubChem CID 172733582) has the molecular formula C23H23N5O4 and a molecular weight of 433.47 g/mol. Its IUPAC name is 6-[4-[4-(cyanomethoxy)phenyl]-5-oxo-1H-pyrazol-2-yl]-N-[1-(2-methoxyethyl)cyclopropyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[4-[4-(cyanomethoxy)phenyl]-5-oxo-1H-pyrazol-2-yl]-N-[1-(2-methoxyethyl)cyclopropyl]pyridine-3-carboxamide
PubChem CID172733582
Molecular FormulaC23H23N5O4
Molecular Weight433.47 g/mol
Exact Mass433.18
IUPAC Name6-[4-[4-(cyanomethoxy)phenyl]-5-oxo-1H-pyrazol-2-yl]-N-[1-(2-methoxyethyl)cyclopropyl]pyridine-3-carboxamide
SMILESCOCCC1(NC(=O)c2ccc(-n3cc(-c4ccc(OCC#N)cc4)c(=O)[nH]3)nc2)CC1
InChIInChI=1S/C23H23N5O4/c1-31-12-10-23(8-9-23)26-21(29)17-4-7-20(25-14-17)28-15-19(22(30)27-28)16-2-5-18(6-3-16)32-13-11-24/h2-7,14-15H,8-10,12-13H2,1H3,(H,26,29)(H,27,30)
InChIKeyICXJJILMOSFBRJ-UHFFFAOYSA-N
XLogP2.43
TPSA122.03 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.47
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

6-[4-[4-(cyanomethoxy)phenyl]-5-oxo-1H-pyrazol-2-yl]-N-[2-(oxolan-2-yl)ethyl]pyridine-3-carboxamide
CID 172819697
6-[4-(4-cyanophenyl)-5-oxo-1H-pyrazol-2-yl]-N-(3-methoxypropyl)pyridine-3-carboxamide
CID 172825187
6-[4-(4-cyanophenyl)-5-oxo-1H-pyrazol-2-yl]-N-(2-methylpropyl)pyridine-3-carboxamide
CID 172861782
6-[4-(4-cyanophenyl)-5-oxo-1H-pyrazol-2-yl]-N-[2-(oxolan-2-yl)ethyl]pyridine-3-carboxamide
CID 172682404
6-[4-(2-methoxy-2,3-dihydropyridin-4-yl)-3-oxo-1H-pyrazol-2-yl]-N-[1-(2-methoxyethyl)cyclopropyl]pyridine-3-carboxamide
CID 135129940
6-[4-[4-(cyanomethyl)phenyl]-3-oxo-1H-pyrazol-2-yl]-N-(5-methoxypentyl)pyridine-3-carboxamide
CID 172744078
6-[4-(4-cyanophenyl)-5-oxo-1H-pyrazol-2-yl]-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylpyridine-3-carboxamide
CID 172718136
4-butoxy-N-[1-(hydroxymethyl)cyclopropyl]benzamide
CID 115764949
6-[4-(4-cyanophenyl)-3-oxo-1H-pyrazol-2-yl]-N-methylsulfonylpyridine-3-carboxamide
CID 156860293
2-[4-(2-methoxyethyl)phenoxy]acetonitrile
CID 43237929
6-[4-(5-cyano-2-methylcyclohepta-1,4,6-trien-1-yl)-3-oxo-1H-pyrazol-2-yl]-N-(3-methoxypropyl)pyridine-3-carboxamide
CID 135129879
2-[4-(2-methylpropanoyl)phenoxy]acetonitrile
CID 82076680

Frequently Asked Questions

What is the IUPAC name of 6-[4-[4-(cyanomethoxy)phenyl]-5-oxo-1H-pyrazol-2-yl]-N-[1-(2-methoxyethyl)cyclopropyl]pyridine-3-carboxamide?
The IUPAC name of 6-[4-[4-(cyanomethoxy)phenyl]-5-oxo-1H-pyrazol-2-yl]-N-[1-(2-methoxyethyl)cyclopropyl]pyridine-3-carboxamide (CID 172733582) is 6-[4-[4-(cyanomethoxy)phenyl]-5-oxo-1H-pyrazol-2-yl]-N-[1-(2-methoxyethyl)cyclopropyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-[4-[4-(cyanomethoxy)phenyl]-5-oxo-1H-pyrazol-2-yl]-N-[1-(2-methoxyethyl)cyclopropyl]pyridine-3-carboxamide?
The canonical SMILES for 6-[4-[4-(cyanomethoxy)phenyl]-5-oxo-1H-pyrazol-2-yl]-N-[1-(2-methoxyethyl)cyclopropyl]pyridine-3-carboxamide is COCCC1(NC(=O)c2ccc(-n3cc(-c4ccc(OCC#N)cc4)c(=O)[nH]3)nc2)CC1.
What is the InChIKey of 6-[4-[4-(cyanomethoxy)phenyl]-5-oxo-1H-pyrazol-2-yl]-N-[1-(2-methoxyethyl)cyclopropyl]pyridine-3-carboxamide?
The InChIKey is ICXJJILMOSFBRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O4/c1-31-12-10-23(8-9-23)26-21(29)17-4-7-20(25-14-17)28-15-19(22(30)27-28)16-2-5-18(6-3-16)32-13-11-24/h2-7,14-15H,8-10,12-13H2,1H3,(H,26,29)(H,27,30).
What are the key properties of 6-[4-[4-(cyanomethoxy)phenyl]-5-oxo-1H-pyrazol-2-yl]-N-[1-(2-methoxyethyl)cyclopropyl]pyridine-3-carboxamide?
6-[4-[4-(cyanomethoxy)phenyl]-5-oxo-1H-pyrazol-2-yl]-N-[1-(2-methoxyethyl)cyclopropyl]pyridine-3-carboxamide has a molecular weight of 433.47 g/mol, XLogP of 2.43, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[4-(cyanomethoxy)phenyl]-5-oxo-1H-pyrazol-2-yl]-N-[1-(2-methoxyethyl)cyclopropyl]pyridine-3-carboxamide is sourced from PubChem (CID 172733582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).