6-(cyclopropylmethoxy)-N-[(1S)-2-cyclopropyl-1-(1,3-thiazol-2-yl)ethyl]-5-methylpyridine-2-carboxamide

C19H23N3O2S — CID 71105575

IUPAC6-(cyclopropylmethoxy)-N-[(1S)-2-cyclopropyl-1-(1,3-thiazol-2-yl)ethyl]-5-methylpyridine-2-carboxamide
SMILESCc1ccc(C(=O)N[C@@H](CC2CC2)c2nccs2)nc1OCC1CC1
InChIInChI=1S/C19H23N3O2S/c1-12-2-7-15(22-18(12)24-11-14-5-6-14)17(23)21-16(10-13-3-4-13)19-20-8-9-25-19/h2,7-9,13-14,16H,3-6,10-11H2,1H3,(H,21,23)/t16-/m0/s1
InChIKeyBSECRFPXHQUWKY-INIZCTEOSA-N
MW357.48 g/mol
LogP3.91
Rot. Bonds8

About 6-(cyclopropylmethoxy)-N-[(1S)-2-cyclopropyl-1-(1,3-thiazol-2-yl)ethyl]-5-methylpyridine-2-carboxamide

6-(cyclopropylmethoxy)-N-[(1S)-2-cyclopropyl-1-(1,3-thiazol-2-yl)ethyl]-5-methylpyridine-2-carboxamide (PubChem CID 71105575) has the molecular formula C19H23N3O2S and a molecular weight of 357.48 g/mol. Its IUPAC name is 6-(cyclopropylmethoxy)-N-[(1S)-2-cyclopropyl-1-(1,3-thiazol-2-yl)ethyl]-5-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name6-(cyclopropylmethoxy)-N-[(1S)-2-cyclopropyl-1-(1,3-thiazol-2-yl)ethyl]-5-methylpyridine-2-carboxamide
PubChem CID71105575
Molecular FormulaC19H23N3O2S
Molecular Weight357.48 g/mol
Exact Mass357.15
IUPAC Name6-(cyclopropylmethoxy)-N-[(1S)-2-cyclopropyl-1-(1,3-thiazol-2-yl)ethyl]-5-methylpyridine-2-carboxamide
SMILESCc1ccc(C(=O)N[C@@H](CC2CC2)c2nccs2)nc1OCC1CC1
InChIInChI=1S/C19H23N3O2S/c1-12-2-7-15(22-18(12)24-11-14-5-6-14)17(23)21-16(10-13-3-4-13)19-20-8-9-25-19/h2,7-9,13-14,16H,3-6,10-11H2,1H3,(H,21,23)/t16-/m0/s1
InChIKeyBSECRFPXHQUWKY-INIZCTEOSA-N
XLogP3.91
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.48
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(cyclopropylmethoxy)-N-[(1S)-2-cyclopropyl-1-(1,3-thiazol-2-yl)ethyl]-5-methylpyridine-2-carboxamide?
The IUPAC name of 6-(cyclopropylmethoxy)-N-[(1S)-2-cyclopropyl-1-(1,3-thiazol-2-yl)ethyl]-5-methylpyridine-2-carboxamide (CID 71105575) is 6-(cyclopropylmethoxy)-N-[(1S)-2-cyclopropyl-1-(1,3-thiazol-2-yl)ethyl]-5-methylpyridine-2-carboxamide.
What is the SMILES notation for 6-(cyclopropylmethoxy)-N-[(1S)-2-cyclopropyl-1-(1,3-thiazol-2-yl)ethyl]-5-methylpyridine-2-carboxamide?
The canonical SMILES for 6-(cyclopropylmethoxy)-N-[(1S)-2-cyclopropyl-1-(1,3-thiazol-2-yl)ethyl]-5-methylpyridine-2-carboxamide is Cc1ccc(C(=O)N[C@@H](CC2CC2)c2nccs2)nc1OCC1CC1.
What is the InChIKey of 6-(cyclopropylmethoxy)-N-[(1S)-2-cyclopropyl-1-(1,3-thiazol-2-yl)ethyl]-5-methylpyridine-2-carboxamide?
The InChIKey is BSECRFPXHQUWKY-INIZCTEOSA-N. The full InChI is InChI=1S/C19H23N3O2S/c1-12-2-7-15(22-18(12)24-11-14-5-6-14)17(23)21-16(10-13-3-4-13)19-20-8-9-25-19/h2,7-9,13-14,16H,3-6,10-11H2,1H3,(H,21,23)/t16-/m0/s1.
What are the key properties of 6-(cyclopropylmethoxy)-N-[(1S)-2-cyclopropyl-1-(1,3-thiazol-2-yl)ethyl]-5-methylpyridine-2-carboxamide?
6-(cyclopropylmethoxy)-N-[(1S)-2-cyclopropyl-1-(1,3-thiazol-2-yl)ethyl]-5-methylpyridine-2-carboxamide has a molecular weight of 357.48 g/mol, XLogP of 3.91, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(cyclopropylmethoxy)-N-[(1S)-2-cyclopropyl-1-(1,3-thiazol-2-yl)ethyl]-5-methylpyridine-2-carboxamide is sourced from PubChem (CID 71105575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).