5-(3-cyanophenyl)-6-cyclopropyloxy-N-[(7-fluoro-3H-isoindol-4-yl)methyl]-N-methylpyridine-2-carboxamide

C26H21FN4O2 — CID 167575131

IUPAC5-(3-cyanophenyl)-6-cyclopropyloxy-N-[(7-fluoro-3H-isoindol-4-yl)methyl]-N-methylpyridine-2-carboxamide
SMILESCN(Cc1ccc(F)c2c1CN=C2)C(=O)c1ccc(-c2cccc(C#N)c2)c(OC2CC2)n1
InChIInChI=1S/C26H21FN4O2/c1-31(15-18-5-9-23(27)22-14-29-13-21(18)22)26(32)24-10-8-20(25(30-24)33-19-6-7-19)17-4-2-3-16(11-17)12-28/h2-5,8-11,14,19H,6-7,13,15H2,1H3
InChIKeyGPPLMDIREQWIEL-UHFFFAOYSA-N
MW440.48 g/mol
LogP4.51
Rot. Bonds6

About 5-(3-cyanophenyl)-6-cyclopropyloxy-N-[(7-fluoro-3H-isoindol-4-yl)methyl]-N-methylpyridine-2-carboxamide

5-(3-cyanophenyl)-6-cyclopropyloxy-N-[(7-fluoro-3H-isoindol-4-yl)methyl]-N-methylpyridine-2-carboxamide (PubChem CID 167575131) has the molecular formula C26H21FN4O2 and a molecular weight of 440.48 g/mol. Its IUPAC name is 5-(3-cyanophenyl)-6-cyclopropyloxy-N-[(7-fluoro-3H-isoindol-4-yl)methyl]-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name5-(3-cyanophenyl)-6-cyclopropyloxy-N-[(7-fluoro-3H-isoindol-4-yl)methyl]-N-methylpyridine-2-carboxamide
PubChem CID167575131
Molecular FormulaC26H21FN4O2
Molecular Weight440.48 g/mol
Exact Mass440.16
IUPAC Name5-(3-cyanophenyl)-6-cyclopropyloxy-N-[(7-fluoro-3H-isoindol-4-yl)methyl]-N-methylpyridine-2-carboxamide
SMILESCN(Cc1ccc(F)c2c1CN=C2)C(=O)c1ccc(-c2cccc(C#N)c2)c(OC2CC2)n1
InChIInChI=1S/C26H21FN4O2/c1-31(15-18-5-9-23(27)22-14-29-13-21(18)22)26(32)24-10-8-20(25(30-24)33-19-6-7-19)17-4-2-3-16(11-17)12-28/h2-5,8-11,14,19H,6-7,13,15H2,1H3
InChIKeyGPPLMDIREQWIEL-UHFFFAOYSA-N
XLogP4.51
TPSA78.58 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.48
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-(3-cyanophenyl)-6-cyclopropyloxy-N-[(7-fluoro-3H-isoindol-4-yl)methyl]-N-methylpyridine-2-carboxamide with MolForge

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Related Compounds

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CID 90203497
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CID 156017618
5-[[3-(3-Cyanophenyl)-2-fluoro-4-methoxyphenyl]methyl]pyridine-2-carboxamide
CID 58020234
N-(2-cyanoethyl)-3-[6-[2-(3-fluorophenyl)ethoxy]-2-pyridinyl]benzamide
CID 58103446
[4-(2-propan-2-yloxy-5H-cyclopenta[b]pyridin-6-yl)piperidin-1-yl]-[2-(trifluoromethyl)phenyl]methanone
CID 58578322
[6-[4-(4-Fluorophenoxy)phenyl]-2-pyridinyl]-(4-methylpiperazin-1-yl)methanone
CID 68077536
4-cyano-6-[4-(4-fluorophenoxy)phenyl]-N-(2-piperidin-1-ylethyl)pyridine-2-carboxamide
CID 68093253
(4,4-Dimethylpiperazin-4-ium-1-yl)-[6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]methanone
CID 71566018
N-[2-(dimethylamino)ethyl]-4-[4-(4-fluorophenoxy)phenyl]-N-propylpyridine-2-carboxamide
CID 89555846
N-[2-(dimethylamino)ethyl]-6-[4-(4-fluorophenoxy)phenyl]-N-propylpyridine-2-carboxamide
CID 117650835
2-([3-fluoro-5-[2-(2-methoxyethoxy)-6-(trifluoromethyl)pyridin-3-yl]phenyl]methyl)-2,3-dihydro-1H-isoindole-1,3-dione
CID 118008622
[4-Ethenyl-6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]-(4-methylpiperazin-1-yl)methanone
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Frequently Asked Questions

What is the IUPAC name of 5-(3-cyanophenyl)-6-cyclopropyloxy-N-[(7-fluoro-3H-isoindol-4-yl)methyl]-N-methylpyridine-2-carboxamide?
The IUPAC name of 5-(3-cyanophenyl)-6-cyclopropyloxy-N-[(7-fluoro-3H-isoindol-4-yl)methyl]-N-methylpyridine-2-carboxamide (CID 167575131) is 5-(3-cyanophenyl)-6-cyclopropyloxy-N-[(7-fluoro-3H-isoindol-4-yl)methyl]-N-methylpyridine-2-carboxamide.
What is the SMILES notation for 5-(3-cyanophenyl)-6-cyclopropyloxy-N-[(7-fluoro-3H-isoindol-4-yl)methyl]-N-methylpyridine-2-carboxamide?
The canonical SMILES for 5-(3-cyanophenyl)-6-cyclopropyloxy-N-[(7-fluoro-3H-isoindol-4-yl)methyl]-N-methylpyridine-2-carboxamide is CN(Cc1ccc(F)c2c1CN=C2)C(=O)c1ccc(-c2cccc(C#N)c2)c(OC2CC2)n1.
What is the InChIKey of 5-(3-cyanophenyl)-6-cyclopropyloxy-N-[(7-fluoro-3H-isoindol-4-yl)methyl]-N-methylpyridine-2-carboxamide?
The InChIKey is GPPLMDIREQWIEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21FN4O2/c1-31(15-18-5-9-23(27)22-14-29-13-21(18)22)26(32)24-10-8-20(25(30-24)33-19-6-7-19)17-4-2-3-16(11-17)12-28/h2-5,8-11,14,19H,6-7,13,15H2,1H3.
What are the key properties of 5-(3-cyanophenyl)-6-cyclopropyloxy-N-[(7-fluoro-3H-isoindol-4-yl)methyl]-N-methylpyridine-2-carboxamide?
5-(3-cyanophenyl)-6-cyclopropyloxy-N-[(7-fluoro-3H-isoindol-4-yl)methyl]-N-methylpyridine-2-carboxamide has a molecular weight of 440.48 g/mol, XLogP of 4.51, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-cyanophenyl)-6-cyclopropyloxy-N-[(7-fluoro-3H-isoindol-4-yl)methyl]-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 167575131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).