3-(5-cyano-2-methoxyphenyl)-N-[5-[(1R,2R)-2-(4-cyanophenyl)cyclopropyl]-1,3,4-thiadiazol-2-yl]pyridine-4-carboxamide

C26H18N6O2S — CID 171490618

IUPAC3-(5-cyano-2-methoxyphenyl)-N-[5-[(1R,2R)-2-(4-cyanophenyl)cyclopropyl]-1,3,4-thiadiazol-2-yl]pyridine-4-carboxamide
SMILESCOc1ccc(C#N)cc1-c1cnccc1C(=O)Nc1nnc([C@@H]2C[C@H]2c2ccc(C#N)cc2)s1
InChIInChI=1S/C26H18N6O2S/c1-34-23-7-4-16(13-28)10-20(23)22-14-29-9-8-18(22)24(33)30-26-32-31-25(35-26)21-11-19(21)17-5-2-15(12-27)3-6-17/h2-10,14,19,21H,11H2,1H3,(H,30,32,33)/t19-,21+/m0/s1
InChIKeyYWVPVHWUIPTKHY-PZJWPPBQSA-N
MW478.54 g/mol
LogP4.88
Rot. Bonds6

About 3-(5-cyano-2-methoxyphenyl)-N-[5-[(1R,2R)-2-(4-cyanophenyl)cyclopropyl]-1,3,4-thiadiazol-2-yl]pyridine-4-carboxamide

3-(5-cyano-2-methoxyphenyl)-N-[5-[(1R,2R)-2-(4-cyanophenyl)cyclopropyl]-1,3,4-thiadiazol-2-yl]pyridine-4-carboxamide (PubChem CID 171490618) has the molecular formula C26H18N6O2S and a molecular weight of 478.54 g/mol. Its IUPAC name is 3-(5-cyano-2-methoxyphenyl)-N-[5-[(1R,2R)-2-(4-cyanophenyl)cyclopropyl]-1,3,4-thiadiazol-2-yl]pyridine-4-carboxamide.

Molecular Properties

Compound Name3-(5-cyano-2-methoxyphenyl)-N-[5-[(1R,2R)-2-(4-cyanophenyl)cyclopropyl]-1,3,4-thiadiazol-2-yl]pyridine-4-carboxamide
PubChem CID171490618
Molecular FormulaC26H18N6O2S
Molecular Weight478.54 g/mol
Exact Mass478.12
IUPAC Name3-(5-cyano-2-methoxyphenyl)-N-[5-[(1R,2R)-2-(4-cyanophenyl)cyclopropyl]-1,3,4-thiadiazol-2-yl]pyridine-4-carboxamide
SMILESCOc1ccc(C#N)cc1-c1cnccc1C(=O)Nc1nnc([C@@H]2C[C@H]2c2ccc(C#N)cc2)s1
InChIInChI=1S/C26H18N6O2S/c1-34-23-7-4-16(13-28)10-20(23)22-14-29-9-8-18(22)24(33)30-26-32-31-25(35-26)21-11-19(21)17-5-2-15(12-27)3-6-17/h2-10,14,19,21H,11H2,1H3,(H,30,32,33)/t19-,21+/m0/s1
InChIKeyYWVPVHWUIPTKHY-PZJWPPBQSA-N
XLogP4.88
TPSA124.58 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.54
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 3-(5-cyano-2-methoxyphenyl)-N-[5-[(1R,2R)-2-(4-cyanophenyl)cyclopropyl]-1,3,4-thiadiazol-2-yl]pyridine-4-carboxamide with MolForge

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Related Compounds

N-[5-[(4-cyanophenyl)methoxy]-1,3,4-thiadiazol-2-yl]-3-(2-methoxyphenyl)pyridine-4-carboxamide
CID 175679881
N-[5-(2-cyclopropylethynyl)-1,3,4-thiadiazol-2-yl]-3-[2-(difluoromethyl)-5-methoxy-4-pyridinyl]pyridine-4-carboxamide
CID 171490614
3-(2-methoxyphenyl)-N-[5-(3-phenoxypropyl)-1,3,4-thiadiazol-2-yl]pyridine-4-carboxamide
CID 176555695
4-(5-cyano-2-methoxyphenyl)-6-methyl-N-[5-(oxolan-3-ylsulfanyl)-1,3,4-thiadiazol-2-yl]pyridine-3-carboxamide
CID 176913714
4-(5-cyano-2-methoxyphenyl)-N-[6-(5-cyclopropyl-2-pyridinyl)-[1,3]thiazolo[4,5-b]pyrazin-2-yl]-6-methylpyridine-3-carboxamide
CID 168984906
N-(5-cyano-2-methylphenyl)-3-methoxypyridine-4-carboxamide
CID 105063446
4-(5-cyano-2-methoxyphenyl)-6-methyl-N-[5-[(1R,2R)-2-methylcyclobutanecarbonyl]-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-2-yl]pyridine-3-carboxamide
CID 176833484
N-(5-cyano-2-pyridinyl)-3-methoxypyridine-4-carboxamide
CID 105063451
6-[(Z)-1-amino-3-methyliminoprop-1-enyl]-N-[5-[(2R)-2-(4-chlorophenyl)cyclopropyl]-1,3,4-thiadiazol-2-yl]-4-[2-(difluoromethyl)-5-methoxy-4-pyridinyl]pyridine-3-carboxamide
CID 175679718
4-(5-cyano-2-methoxyphenyl)-6-methyl-N-[5-(pyridine-4-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]pyridine-3-carboxamide
CID 176833381
N-(5-cyano-2-methoxyphenyl)pyridine-4-carboxamide
CID 49183025
4-(5-cyano-2-methoxyphenyl)-6-methyl-N-[5-(3-methylcyclobutanecarbonyl)-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-2-yl]pyridine-3-carboxamide
CID 176834363

Frequently Asked Questions

What is the IUPAC name of 3-(5-cyano-2-methoxyphenyl)-N-[5-[(1R,2R)-2-(4-cyanophenyl)cyclopropyl]-1,3,4-thiadiazol-2-yl]pyridine-4-carboxamide?
The IUPAC name of 3-(5-cyano-2-methoxyphenyl)-N-[5-[(1R,2R)-2-(4-cyanophenyl)cyclopropyl]-1,3,4-thiadiazol-2-yl]pyridine-4-carboxamide (CID 171490618) is 3-(5-cyano-2-methoxyphenyl)-N-[5-[(1R,2R)-2-(4-cyanophenyl)cyclopropyl]-1,3,4-thiadiazol-2-yl]pyridine-4-carboxamide.
What is the SMILES notation for 3-(5-cyano-2-methoxyphenyl)-N-[5-[(1R,2R)-2-(4-cyanophenyl)cyclopropyl]-1,3,4-thiadiazol-2-yl]pyridine-4-carboxamide?
The canonical SMILES for 3-(5-cyano-2-methoxyphenyl)-N-[5-[(1R,2R)-2-(4-cyanophenyl)cyclopropyl]-1,3,4-thiadiazol-2-yl]pyridine-4-carboxamide is COc1ccc(C#N)cc1-c1cnccc1C(=O)Nc1nnc([C@@H]2C[C@H]2c2ccc(C#N)cc2)s1.
What is the InChIKey of 3-(5-cyano-2-methoxyphenyl)-N-[5-[(1R,2R)-2-(4-cyanophenyl)cyclopropyl]-1,3,4-thiadiazol-2-yl]pyridine-4-carboxamide?
The InChIKey is YWVPVHWUIPTKHY-PZJWPPBQSA-N. The full InChI is InChI=1S/C26H18N6O2S/c1-34-23-7-4-16(13-28)10-20(23)22-14-29-9-8-18(22)24(33)30-26-32-31-25(35-26)21-11-19(21)17-5-2-15(12-27)3-6-17/h2-10,14,19,21H,11H2,1H3,(H,30,32,33)/t19-,21+/m0/s1.
What are the key properties of 3-(5-cyano-2-methoxyphenyl)-N-[5-[(1R,2R)-2-(4-cyanophenyl)cyclopropyl]-1,3,4-thiadiazol-2-yl]pyridine-4-carboxamide?
3-(5-cyano-2-methoxyphenyl)-N-[5-[(1R,2R)-2-(4-cyanophenyl)cyclopropyl]-1,3,4-thiadiazol-2-yl]pyridine-4-carboxamide has a molecular weight of 478.54 g/mol, XLogP of 4.88, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-cyano-2-methoxyphenyl)-N-[5-[(1R,2R)-2-(4-cyanophenyl)cyclopropyl]-1,3,4-thiadiazol-2-yl]pyridine-4-carboxamide is sourced from PubChem (CID 171490618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).