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

C21H25N3O2S — CID 71105591

IUPAC5-cyclopropyl-6-(cyclopropylmethoxy)-N-[(1S)-2-cyclopropyl-1-(1,3-thiazol-2-yl)ethyl]pyridine-2-carboxamide
SMILESO=C(N[C@@H](CC1CC1)c1nccs1)c1ccc(C2CC2)c(OCC2CC2)n1
InChIInChI=1S/C21H25N3O2S/c25-19(23-18(11-13-1-2-13)21-22-9-10-27-21)17-8-7-16(15-5-6-15)20(24-17)26-12-14-3-4-14/h7-10,13-15,18H,1-6,11-12H2,(H,23,25)/t18-/m0/s1
InChIKeySDQPXNAWWRYEPS-SFHVURJKSA-N
MW383.52 g/mol
LogP4.48
Rot. Bonds9

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

5-cyclopropyl-6-(cyclopropylmethoxy)-N-[(1S)-2-cyclopropyl-1-(1,3-thiazol-2-yl)ethyl]pyridine-2-carboxamide (PubChem CID 71105591) has the molecular formula C21H25N3O2S and a molecular weight of 383.52 g/mol. Its IUPAC name is 5-cyclopropyl-6-(cyclopropylmethoxy)-N-[(1S)-2-cyclopropyl-1-(1,3-thiazol-2-yl)ethyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-6-(cyclopropylmethoxy)-N-[(1S)-2-cyclopropyl-1-(1,3-thiazol-2-yl)ethyl]pyridine-2-carboxamide
PubChem CID71105591
Molecular FormulaC21H25N3O2S
Molecular Weight383.52 g/mol
Exact Mass383.17
IUPAC Name5-cyclopropyl-6-(cyclopropylmethoxy)-N-[(1S)-2-cyclopropyl-1-(1,3-thiazol-2-yl)ethyl]pyridine-2-carboxamide
SMILESO=C(N[C@@H](CC1CC1)c1nccs1)c1ccc(C2CC2)c(OCC2CC2)n1
InChIInChI=1S/C21H25N3O2S/c25-19(23-18(11-13-1-2-13)21-22-9-10-27-21)17-8-7-16(15-5-6-15)20(24-17)26-12-14-3-4-14/h7-10,13-15,18H,1-6,11-12H2,(H,23,25)/t18-/m0/s1
InChIKeySDQPXNAWWRYEPS-SFHVURJKSA-N
XLogP4.48
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.52
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-cyclopropyl-6-(cyclopropylmethoxy)-N-[(1S)-2-cyclopropyl-1-(1,3-thiazol-2-yl)ethyl]pyridine-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-6-(cyclopropylmethoxy)-N-[(1S)-2-cyclopropyl-1-(1,3-thiazol-2-yl)ethyl]pyridine-2-carboxamide?
The IUPAC name of 5-cyclopropyl-6-(cyclopropylmethoxy)-N-[(1S)-2-cyclopropyl-1-(1,3-thiazol-2-yl)ethyl]pyridine-2-carboxamide (CID 71105591) is 5-cyclopropyl-6-(cyclopropylmethoxy)-N-[(1S)-2-cyclopropyl-1-(1,3-thiazol-2-yl)ethyl]pyridine-2-carboxamide.
What is the SMILES notation for 5-cyclopropyl-6-(cyclopropylmethoxy)-N-[(1S)-2-cyclopropyl-1-(1,3-thiazol-2-yl)ethyl]pyridine-2-carboxamide?
The canonical SMILES for 5-cyclopropyl-6-(cyclopropylmethoxy)-N-[(1S)-2-cyclopropyl-1-(1,3-thiazol-2-yl)ethyl]pyridine-2-carboxamide is O=C(N[C@@H](CC1CC1)c1nccs1)c1ccc(C2CC2)c(OCC2CC2)n1.
What is the InChIKey of 5-cyclopropyl-6-(cyclopropylmethoxy)-N-[(1S)-2-cyclopropyl-1-(1,3-thiazol-2-yl)ethyl]pyridine-2-carboxamide?
The InChIKey is SDQPXNAWWRYEPS-SFHVURJKSA-N. The full InChI is InChI=1S/C21H25N3O2S/c25-19(23-18(11-13-1-2-13)21-22-9-10-27-21)17-8-7-16(15-5-6-15)20(24-17)26-12-14-3-4-14/h7-10,13-15,18H,1-6,11-12H2,(H,23,25)/t18-/m0/s1.
What are the key properties of 5-cyclopropyl-6-(cyclopropylmethoxy)-N-[(1S)-2-cyclopropyl-1-(1,3-thiazol-2-yl)ethyl]pyridine-2-carboxamide?
5-cyclopropyl-6-(cyclopropylmethoxy)-N-[(1S)-2-cyclopropyl-1-(1,3-thiazol-2-yl)ethyl]pyridine-2-carboxamide has a molecular weight of 383.52 g/mol, XLogP of 4.48, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-6-(cyclopropylmethoxy)-N-[(1S)-2-cyclopropyl-1-(1,3-thiazol-2-yl)ethyl]pyridine-2-carboxamide is sourced from PubChem (CID 71105591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).