5-cyclopropyl-6-(3-methylphenyl)-N-[2-(1,3-thiazol-2-yl)propan-2-yl]pyridine-2-carboxamide

C22H23N3OS — CID 71105601

IUPAC5-cyclopropyl-6-(3-methylphenyl)-N-[2-(1,3-thiazol-2-yl)propan-2-yl]pyridine-2-carboxamide
SMILESCc1cccc(-c2nc(C(=O)NC(C)(C)c3nccs3)ccc2C2CC2)c1
InChIInChI=1S/C22H23N3OS/c1-14-5-4-6-16(13-14)19-17(15-7-8-15)9-10-18(24-19)20(26)25-22(2,3)21-23-11-12-27-21/h4-6,9-13,15H,7-8H2,1-3H3,(H,25,26)
InChIKeyOEVULJZIFDONHH-UHFFFAOYSA-N
MW377.51 g/mol
LogP5.06
Rot. Bonds5

About 5-cyclopropyl-6-(3-methylphenyl)-N-[2-(1,3-thiazol-2-yl)propan-2-yl]pyridine-2-carboxamide

5-cyclopropyl-6-(3-methylphenyl)-N-[2-(1,3-thiazol-2-yl)propan-2-yl]pyridine-2-carboxamide (PubChem CID 71105601) has the molecular formula C22H23N3OS and a molecular weight of 377.51 g/mol. Its IUPAC name is 5-cyclopropyl-6-(3-methylphenyl)-N-[2-(1,3-thiazol-2-yl)propan-2-yl]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-6-(3-methylphenyl)-N-[2-(1,3-thiazol-2-yl)propan-2-yl]pyridine-2-carboxamide
PubChem CID71105601
Molecular FormulaC22H23N3OS
Molecular Weight377.51 g/mol
Exact Mass377.16
IUPAC Name5-cyclopropyl-6-(3-methylphenyl)-N-[2-(1,3-thiazol-2-yl)propan-2-yl]pyridine-2-carboxamide
SMILESCc1cccc(-c2nc(C(=O)NC(C)(C)c3nccs3)ccc2C2CC2)c1
InChIInChI=1S/C22H23N3OS/c1-14-5-4-6-16(13-14)19-17(15-7-8-15)9-10-18(24-19)20(26)25-22(2,3)21-23-11-12-27-21/h4-6,9-13,15H,7-8H2,1-3H3,(H,25,26)
InChIKeyOEVULJZIFDONHH-UHFFFAOYSA-N
XLogP5.06
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.51
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-6-(3-methylphenyl)-N-[2-(1,3-thiazol-2-yl)propan-2-yl]pyridine-2-carboxamide?
The IUPAC name of 5-cyclopropyl-6-(3-methylphenyl)-N-[2-(1,3-thiazol-2-yl)propan-2-yl]pyridine-2-carboxamide (CID 71105601) is 5-cyclopropyl-6-(3-methylphenyl)-N-[2-(1,3-thiazol-2-yl)propan-2-yl]pyridine-2-carboxamide.
What is the SMILES notation for 5-cyclopropyl-6-(3-methylphenyl)-N-[2-(1,3-thiazol-2-yl)propan-2-yl]pyridine-2-carboxamide?
The canonical SMILES for 5-cyclopropyl-6-(3-methylphenyl)-N-[2-(1,3-thiazol-2-yl)propan-2-yl]pyridine-2-carboxamide is Cc1cccc(-c2nc(C(=O)NC(C)(C)c3nccs3)ccc2C2CC2)c1.
What is the InChIKey of 5-cyclopropyl-6-(3-methylphenyl)-N-[2-(1,3-thiazol-2-yl)propan-2-yl]pyridine-2-carboxamide?
The InChIKey is OEVULJZIFDONHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3OS/c1-14-5-4-6-16(13-14)19-17(15-7-8-15)9-10-18(24-19)20(26)25-22(2,3)21-23-11-12-27-21/h4-6,9-13,15H,7-8H2,1-3H3,(H,25,26).
What are the key properties of 5-cyclopropyl-6-(3-methylphenyl)-N-[2-(1,3-thiazol-2-yl)propan-2-yl]pyridine-2-carboxamide?
5-cyclopropyl-6-(3-methylphenyl)-N-[2-(1,3-thiazol-2-yl)propan-2-yl]pyridine-2-carboxamide has a molecular weight of 377.51 g/mol, XLogP of 5.06, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-6-(3-methylphenyl)-N-[2-(1,3-thiazol-2-yl)propan-2-yl]pyridine-2-carboxamide is sourced from PubChem (CID 71105601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).