(2S)-N-[5-(cyclopropylmethoxy)-2-pyridinyl]-2-[(3R)-3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]propanamide

C17H22F3N3O3 — CID 164584546

IUPAC(2S)-N-[5-(cyclopropylmethoxy)-2-pyridinyl]-2-[(3R)-3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]propanamide
SMILESC[C@@H](C(=O)Nc1ccc(OCC2CC2)cn1)N1CC[C@](O)(C(F)(F)F)C1
InChIInChI=1S/C17H22F3N3O3/c1-11(23-7-6-16(25,10-23)17(18,19)20)15(24)22-14-5-4-13(8-21-14)26-9-12-2-3-12/h4-5,8,11-12,25H,2-3,6-7,9-10H2,1H3,(H,21,22,24)/t11-,16+/m0/s1
InChIKeyGMCRRRZNWPFWST-MEDUHNTESA-N
MW373.38 g/mol
LogP2.20
Rot. Bonds6

About (2S)-N-[5-(cyclopropylmethoxy)-2-pyridinyl]-2-[(3R)-3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]propanamide

(2S)-N-[5-(cyclopropylmethoxy)-2-pyridinyl]-2-[(3R)-3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]propanamide (PubChem CID 164584546) has the molecular formula C17H22F3N3O3 and a molecular weight of 373.38 g/mol. Its IUPAC name is (2S)-N-[5-(cyclopropylmethoxy)-2-pyridinyl]-2-[(3R)-3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]propanamide.

Molecular Properties

Compound Name(2S)-N-[5-(cyclopropylmethoxy)-2-pyridinyl]-2-[(3R)-3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]propanamide
PubChem CID164584546
Molecular FormulaC17H22F3N3O3
Molecular Weight373.38 g/mol
Exact Mass373.16
IUPAC Name(2S)-N-[5-(cyclopropylmethoxy)-2-pyridinyl]-2-[(3R)-3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]propanamide
SMILESC[C@@H](C(=O)Nc1ccc(OCC2CC2)cn1)N1CC[C@](O)(C(F)(F)F)C1
InChIInChI=1S/C17H22F3N3O3/c1-11(23-7-6-16(25,10-23)17(18,19)20)15(24)22-14-5-4-13(8-21-14)26-9-12-2-3-12/h4-5,8,11-12,25H,2-3,6-7,9-10H2,1H3,(H,21,22,24)/t11-,16+/m0/s1
InChIKeyGMCRRRZNWPFWST-MEDUHNTESA-N
XLogP2.20
TPSA74.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.38
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-[5-(cyclopropylmethoxy)-2-pyridinyl]-2-[(3R)-3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]propanamide?
The IUPAC name of (2S)-N-[5-(cyclopropylmethoxy)-2-pyridinyl]-2-[(3R)-3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]propanamide (CID 164584546) is (2S)-N-[5-(cyclopropylmethoxy)-2-pyridinyl]-2-[(3R)-3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]propanamide.
What is the SMILES notation for (2S)-N-[5-(cyclopropylmethoxy)-2-pyridinyl]-2-[(3R)-3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]propanamide?
The canonical SMILES for (2S)-N-[5-(cyclopropylmethoxy)-2-pyridinyl]-2-[(3R)-3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]propanamide is C[C@@H](C(=O)Nc1ccc(OCC2CC2)cn1)N1CC[C@](O)(C(F)(F)F)C1.
What is the InChIKey of (2S)-N-[5-(cyclopropylmethoxy)-2-pyridinyl]-2-[(3R)-3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]propanamide?
The InChIKey is GMCRRRZNWPFWST-MEDUHNTESA-N. The full InChI is InChI=1S/C17H22F3N3O3/c1-11(23-7-6-16(25,10-23)17(18,19)20)15(24)22-14-5-4-13(8-21-14)26-9-12-2-3-12/h4-5,8,11-12,25H,2-3,6-7,9-10H2,1H3,(H,21,22,24)/t11-,16+/m0/s1.
What are the key properties of (2S)-N-[5-(cyclopropylmethoxy)-2-pyridinyl]-2-[(3R)-3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]propanamide?
(2S)-N-[5-(cyclopropylmethoxy)-2-pyridinyl]-2-[(3R)-3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]propanamide has a molecular weight of 373.38 g/mol, XLogP of 2.20, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[5-(cyclopropylmethoxy)-2-pyridinyl]-2-[(3R)-3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]propanamide is sourced from PubChem (CID 164584546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).