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

C19H25N3O2S — CID 71105574

IUPAC6-(cyclopropylmethoxy)-5-methyl-N-[(1S)-3-methyl-1-(1,3-thiazol-2-yl)butyl]pyridine-2-carboxamide
SMILESCc1ccc(C(=O)N[C@@H](CC(C)C)c2nccs2)nc1OCC1CC1
InChIInChI=1S/C19H25N3O2S/c1-12(2)10-16(19-20-8-9-25-19)21-17(23)15-7-4-13(3)18(22-15)24-11-14-5-6-14/h4,7-9,12,14,16H,5-6,10-11H2,1-3H3,(H,21,23)/t16-/m0/s1
InChIKeyUNIQLOTWLJVFFT-INIZCTEOSA-N
MW359.50 g/mol
LogP4.15
Rot. Bonds8

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

6-(cyclopropylmethoxy)-5-methyl-N-[(1S)-3-methyl-1-(1,3-thiazol-2-yl)butyl]pyridine-2-carboxamide (PubChem CID 71105574) has the molecular formula C19H25N3O2S and a molecular weight of 359.50 g/mol. Its IUPAC name is 6-(cyclopropylmethoxy)-5-methyl-N-[(1S)-3-methyl-1-(1,3-thiazol-2-yl)butyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-(cyclopropylmethoxy)-5-methyl-N-[(1S)-3-methyl-1-(1,3-thiazol-2-yl)butyl]pyridine-2-carboxamide
PubChem CID71105574
Molecular FormulaC19H25N3O2S
Molecular Weight359.50 g/mol
Exact Mass359.17
IUPAC Name6-(cyclopropylmethoxy)-5-methyl-N-[(1S)-3-methyl-1-(1,3-thiazol-2-yl)butyl]pyridine-2-carboxamide
SMILESCc1ccc(C(=O)N[C@@H](CC(C)C)c2nccs2)nc1OCC1CC1
InChIInChI=1S/C19H25N3O2S/c1-12(2)10-16(19-20-8-9-25-19)21-17(23)15-7-4-13(3)18(22-15)24-11-14-5-6-14/h4,7-9,12,14,16H,5-6,10-11H2,1-3H3,(H,21,23)/t16-/m0/s1
InChIKeyUNIQLOTWLJVFFT-INIZCTEOSA-N
XLogP4.15
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.50
LogP ≤ 54.15
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-[(1S)-3-methyl-1-(1,3-thiazol-2-yl)butyl]pyridine-2-carboxamide?
The IUPAC name of 6-(cyclopropylmethoxy)-5-methyl-N-[(1S)-3-methyl-1-(1,3-thiazol-2-yl)butyl]pyridine-2-carboxamide (CID 71105574) is 6-(cyclopropylmethoxy)-5-methyl-N-[(1S)-3-methyl-1-(1,3-thiazol-2-yl)butyl]pyridine-2-carboxamide.
What is the SMILES notation for 6-(cyclopropylmethoxy)-5-methyl-N-[(1S)-3-methyl-1-(1,3-thiazol-2-yl)butyl]pyridine-2-carboxamide?
The canonical SMILES for 6-(cyclopropylmethoxy)-5-methyl-N-[(1S)-3-methyl-1-(1,3-thiazol-2-yl)butyl]pyridine-2-carboxamide is Cc1ccc(C(=O)N[C@@H](CC(C)C)c2nccs2)nc1OCC1CC1.
What is the InChIKey of 6-(cyclopropylmethoxy)-5-methyl-N-[(1S)-3-methyl-1-(1,3-thiazol-2-yl)butyl]pyridine-2-carboxamide?
The InChIKey is UNIQLOTWLJVFFT-INIZCTEOSA-N. The full InChI is InChI=1S/C19H25N3O2S/c1-12(2)10-16(19-20-8-9-25-19)21-17(23)15-7-4-13(3)18(22-15)24-11-14-5-6-14/h4,7-9,12,14,16H,5-6,10-11H2,1-3H3,(H,21,23)/t16-/m0/s1.
What are the key properties of 6-(cyclopropylmethoxy)-5-methyl-N-[(1S)-3-methyl-1-(1,3-thiazol-2-yl)butyl]pyridine-2-carboxamide?
6-(cyclopropylmethoxy)-5-methyl-N-[(1S)-3-methyl-1-(1,3-thiazol-2-yl)butyl]pyridine-2-carboxamide has a molecular weight of 359.50 g/mol, XLogP of 4.15, 8 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-[(1S)-3-methyl-1-(1,3-thiazol-2-yl)butyl]pyridine-2-carboxamide is sourced from PubChem (CID 71105574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).