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

C17H21N3O2S — CID 71105572

IUPAC6-(cyclopropylmethoxy)-5-methyl-N-[2-(1,3-thiazol-2-yl)propan-2-yl]pyridine-2-carboxamide
SMILESCc1ccc(C(=O)NC(C)(C)c2nccs2)nc1OCC1CC1
InChIInChI=1S/C17H21N3O2S/c1-11-4-7-13(19-15(11)22-10-12-5-6-12)14(21)20-17(2,3)16-18-8-9-23-16/h4,7-9,12H,5-6,10H2,1-3H3,(H,20,21)
InChIKeySIIVRCRGFSKNMU-UHFFFAOYSA-N
MW331.44 g/mol
LogP3.30
Rot. Bonds6

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

6-(cyclopropylmethoxy)-5-methyl-N-[2-(1,3-thiazol-2-yl)propan-2-yl]pyridine-2-carboxamide (PubChem CID 71105572) has the molecular formula C17H21N3O2S and a molecular weight of 331.44 g/mol. Its IUPAC name is 6-(cyclopropylmethoxy)-5-methyl-N-[2-(1,3-thiazol-2-yl)propan-2-yl]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-(cyclopropylmethoxy)-5-methyl-N-[2-(1,3-thiazol-2-yl)propan-2-yl]pyridine-2-carboxamide
PubChem CID71105572
Molecular FormulaC17H21N3O2S
Molecular Weight331.44 g/mol
Exact Mass331.14
IUPAC Name6-(cyclopropylmethoxy)-5-methyl-N-[2-(1,3-thiazol-2-yl)propan-2-yl]pyridine-2-carboxamide
SMILESCc1ccc(C(=O)NC(C)(C)c2nccs2)nc1OCC1CC1
InChIInChI=1S/C17H21N3O2S/c1-11-4-7-13(19-15(11)22-10-12-5-6-12)14(21)20-17(2,3)16-18-8-9-23-16/h4,7-9,12H,5-6,10H2,1-3H3,(H,20,21)
InChIKeySIIVRCRGFSKNMU-UHFFFAOYSA-N
XLogP3.30
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.44
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(cyclopropylmethoxy)-5-methyl-N-[2-(1,3-thiazol-2-yl)propan-2-yl]pyridine-2-carboxamide?
The IUPAC name of 6-(cyclopropylmethoxy)-5-methyl-N-[2-(1,3-thiazol-2-yl)propan-2-yl]pyridine-2-carboxamide (CID 71105572) is 6-(cyclopropylmethoxy)-5-methyl-N-[2-(1,3-thiazol-2-yl)propan-2-yl]pyridine-2-carboxamide.
What is the SMILES notation for 6-(cyclopropylmethoxy)-5-methyl-N-[2-(1,3-thiazol-2-yl)propan-2-yl]pyridine-2-carboxamide?
The canonical SMILES for 6-(cyclopropylmethoxy)-5-methyl-N-[2-(1,3-thiazol-2-yl)propan-2-yl]pyridine-2-carboxamide is Cc1ccc(C(=O)NC(C)(C)c2nccs2)nc1OCC1CC1.
What is the InChIKey of 6-(cyclopropylmethoxy)-5-methyl-N-[2-(1,3-thiazol-2-yl)propan-2-yl]pyridine-2-carboxamide?
The InChIKey is SIIVRCRGFSKNMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2S/c1-11-4-7-13(19-15(11)22-10-12-5-6-12)14(21)20-17(2,3)16-18-8-9-23-16/h4,7-9,12H,5-6,10H2,1-3H3,(H,20,21).
What are the key properties of 6-(cyclopropylmethoxy)-5-methyl-N-[2-(1,3-thiazol-2-yl)propan-2-yl]pyridine-2-carboxamide?
6-(cyclopropylmethoxy)-5-methyl-N-[2-(1,3-thiazol-2-yl)propan-2-yl]pyridine-2-carboxamide has a molecular weight of 331.44 g/mol, XLogP of 3.30, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(cyclopropylmethoxy)-5-methyl-N-[2-(1,3-thiazol-2-yl)propan-2-yl]pyridine-2-carboxamide is sourced from PubChem (CID 71105572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).