6-(cyclopropylmethoxy)-N-[(1S)-2-cyclopropyl-1-(1,3-thiazol-2-yl)ethyl]-5-(oxan-4-yl)pyridine-2-carboxamide

C23H29N3O3S — CID 71105570

IUPAC6-(cyclopropylmethoxy)-N-[(1S)-2-cyclopropyl-1-(1,3-thiazol-2-yl)ethyl]-5-(oxan-4-yl)pyridine-2-carboxamide
SMILESO=C(N[C@@H](CC1CC1)c1nccs1)c1ccc(C2CCOCC2)c(OCC2CC2)n1
InChIInChI=1S/C23H29N3O3S/c27-21(25-20(13-15-1-2-15)23-24-9-12-30-23)19-6-5-18(17-7-10-28-11-8-17)22(26-19)29-14-16-3-4-16/h5-6,9,12,15-17,20H,1-4,7-8,10-11,13-14H2,(H,25,27)/t20-/m0/s1
InChIKeyDCWZLMDUNMSBKK-FQEVSTJZSA-N
MW427.57 g/mol
LogP4.49
Rot. Bonds9

About 6-(cyclopropylmethoxy)-N-[(1S)-2-cyclopropyl-1-(1,3-thiazol-2-yl)ethyl]-5-(oxan-4-yl)pyridine-2-carboxamide

6-(cyclopropylmethoxy)-N-[(1S)-2-cyclopropyl-1-(1,3-thiazol-2-yl)ethyl]-5-(oxan-4-yl)pyridine-2-carboxamide (PubChem CID 71105570) has the molecular formula C23H29N3O3S and a molecular weight of 427.57 g/mol. Its IUPAC name is 6-(cyclopropylmethoxy)-N-[(1S)-2-cyclopropyl-1-(1,3-thiazol-2-yl)ethyl]-5-(oxan-4-yl)pyridine-2-carboxamide.

Molecular Properties

Compound Name6-(cyclopropylmethoxy)-N-[(1S)-2-cyclopropyl-1-(1,3-thiazol-2-yl)ethyl]-5-(oxan-4-yl)pyridine-2-carboxamide
PubChem CID71105570
Molecular FormulaC23H29N3O3S
Molecular Weight427.57 g/mol
Exact Mass427.19
IUPAC Name6-(cyclopropylmethoxy)-N-[(1S)-2-cyclopropyl-1-(1,3-thiazol-2-yl)ethyl]-5-(oxan-4-yl)pyridine-2-carboxamide
SMILESO=C(N[C@@H](CC1CC1)c1nccs1)c1ccc(C2CCOCC2)c(OCC2CC2)n1
InChIInChI=1S/C23H29N3O3S/c27-21(25-20(13-15-1-2-15)23-24-9-12-30-23)19-6-5-18(17-7-10-28-11-8-17)22(26-19)29-14-16-3-4-16/h5-6,9,12,15-17,20H,1-4,7-8,10-11,13-14H2,(H,25,27)/t20-/m0/s1
InChIKeyDCWZLMDUNMSBKK-FQEVSTJZSA-N
XLogP4.49
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.57
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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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-(oxan-4-yl)pyridine-2-carboxamide?
The IUPAC name of 6-(cyclopropylmethoxy)-N-[(1S)-2-cyclopropyl-1-(1,3-thiazol-2-yl)ethyl]-5-(oxan-4-yl)pyridine-2-carboxamide (CID 71105570) is 6-(cyclopropylmethoxy)-N-[(1S)-2-cyclopropyl-1-(1,3-thiazol-2-yl)ethyl]-5-(oxan-4-yl)pyridine-2-carboxamide.
What is the SMILES notation for 6-(cyclopropylmethoxy)-N-[(1S)-2-cyclopropyl-1-(1,3-thiazol-2-yl)ethyl]-5-(oxan-4-yl)pyridine-2-carboxamide?
The canonical SMILES for 6-(cyclopropylmethoxy)-N-[(1S)-2-cyclopropyl-1-(1,3-thiazol-2-yl)ethyl]-5-(oxan-4-yl)pyridine-2-carboxamide is O=C(N[C@@H](CC1CC1)c1nccs1)c1ccc(C2CCOCC2)c(OCC2CC2)n1.
What is the InChIKey of 6-(cyclopropylmethoxy)-N-[(1S)-2-cyclopropyl-1-(1,3-thiazol-2-yl)ethyl]-5-(oxan-4-yl)pyridine-2-carboxamide?
The InChIKey is DCWZLMDUNMSBKK-FQEVSTJZSA-N. The full InChI is InChI=1S/C23H29N3O3S/c27-21(25-20(13-15-1-2-15)23-24-9-12-30-23)19-6-5-18(17-7-10-28-11-8-17)22(26-19)29-14-16-3-4-16/h5-6,9,12,15-17,20H,1-4,7-8,10-11,13-14H2,(H,25,27)/t20-/m0/s1.
What are the key properties of 6-(cyclopropylmethoxy)-N-[(1S)-2-cyclopropyl-1-(1,3-thiazol-2-yl)ethyl]-5-(oxan-4-yl)pyridine-2-carboxamide?
6-(cyclopropylmethoxy)-N-[(1S)-2-cyclopropyl-1-(1,3-thiazol-2-yl)ethyl]-5-(oxan-4-yl)pyridine-2-carboxamide has a molecular weight of 427.57 g/mol, XLogP of 4.49, 9 rotatable bonds, 1 hydrogen bond donors, and 6 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-(oxan-4-yl)pyridine-2-carboxamide is sourced from PubChem (CID 71105570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).