5-cyclopropyl-6-(cyclopropylmethoxy)-N-[(1S)-2,2,2-trifluoro-1-pyridin-2-ylethyl]pyridine-2-carboxamide

C20H20F3N3O2 — CID 71105664

IUPAC5-cyclopropyl-6-(cyclopropylmethoxy)-N-[(1S)-2,2,2-trifluoro-1-pyridin-2-ylethyl]pyridine-2-carboxamide
SMILESO=C(N[C@@H](c1ccccn1)C(F)(F)F)c1ccc(C2CC2)c(OCC2CC2)n1
InChIInChI=1S/C20H20F3N3O2/c21-20(22,23)17(15-3-1-2-10-24-15)26-18(27)16-9-8-14(13-6-7-13)19(25-16)28-11-12-4-5-12/h1-3,8-10,12-13,17H,4-7,11H2,(H,26,27)/t17-/m0/s1
InChIKeyRELOIFPKIPXYHO-KRWDZBQOSA-N
MW391.39 g/mol
LogP4.18
Rot. Bonds7

About 5-cyclopropyl-6-(cyclopropylmethoxy)-N-[(1S)-2,2,2-trifluoro-1-pyridin-2-ylethyl]pyridine-2-carboxamide

5-cyclopropyl-6-(cyclopropylmethoxy)-N-[(1S)-2,2,2-trifluoro-1-pyridin-2-ylethyl]pyridine-2-carboxamide (PubChem CID 71105664) has the molecular formula C20H20F3N3O2 and a molecular weight of 391.39 g/mol. Its IUPAC name is 5-cyclopropyl-6-(cyclopropylmethoxy)-N-[(1S)-2,2,2-trifluoro-1-pyridin-2-ylethyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-6-(cyclopropylmethoxy)-N-[(1S)-2,2,2-trifluoro-1-pyridin-2-ylethyl]pyridine-2-carboxamide
PubChem CID71105664
Molecular FormulaC20H20F3N3O2
Molecular Weight391.39 g/mol
Exact Mass391.15
IUPAC Name5-cyclopropyl-6-(cyclopropylmethoxy)-N-[(1S)-2,2,2-trifluoro-1-pyridin-2-ylethyl]pyridine-2-carboxamide
SMILESO=C(N[C@@H](c1ccccn1)C(F)(F)F)c1ccc(C2CC2)c(OCC2CC2)n1
InChIInChI=1S/C20H20F3N3O2/c21-20(22,23)17(15-3-1-2-10-24-15)26-18(27)16-9-8-14(13-6-7-13)19(25-16)28-11-12-4-5-12/h1-3,8-10,12-13,17H,4-7,11H2,(H,26,27)/t17-/m0/s1
InChIKeyRELOIFPKIPXYHO-KRWDZBQOSA-N
XLogP4.18
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.39
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-cyclopropyl-6-(cyclopropylmethoxy)-N-[(1S)-2,2,2-trifluoro-1-pyridin-2-ylethyl]pyridine-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-6-(cyclopropylmethoxy)-N-[(1S)-2,2,2-trifluoro-1-pyridin-2-ylethyl]pyridine-2-carboxamide?
The IUPAC name of 5-cyclopropyl-6-(cyclopropylmethoxy)-N-[(1S)-2,2,2-trifluoro-1-pyridin-2-ylethyl]pyridine-2-carboxamide (CID 71105664) is 5-cyclopropyl-6-(cyclopropylmethoxy)-N-[(1S)-2,2,2-trifluoro-1-pyridin-2-ylethyl]pyridine-2-carboxamide.
What is the SMILES notation for 5-cyclopropyl-6-(cyclopropylmethoxy)-N-[(1S)-2,2,2-trifluoro-1-pyridin-2-ylethyl]pyridine-2-carboxamide?
The canonical SMILES for 5-cyclopropyl-6-(cyclopropylmethoxy)-N-[(1S)-2,2,2-trifluoro-1-pyridin-2-ylethyl]pyridine-2-carboxamide is O=C(N[C@@H](c1ccccn1)C(F)(F)F)c1ccc(C2CC2)c(OCC2CC2)n1.
What is the InChIKey of 5-cyclopropyl-6-(cyclopropylmethoxy)-N-[(1S)-2,2,2-trifluoro-1-pyridin-2-ylethyl]pyridine-2-carboxamide?
The InChIKey is RELOIFPKIPXYHO-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H20F3N3O2/c21-20(22,23)17(15-3-1-2-10-24-15)26-18(27)16-9-8-14(13-6-7-13)19(25-16)28-11-12-4-5-12/h1-3,8-10,12-13,17H,4-7,11H2,(H,26,27)/t17-/m0/s1.
What are the key properties of 5-cyclopropyl-6-(cyclopropylmethoxy)-N-[(1S)-2,2,2-trifluoro-1-pyridin-2-ylethyl]pyridine-2-carboxamide?
5-cyclopropyl-6-(cyclopropylmethoxy)-N-[(1S)-2,2,2-trifluoro-1-pyridin-2-ylethyl]pyridine-2-carboxamide has a molecular weight of 391.39 g/mol, XLogP of 4.18, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-6-(cyclopropylmethoxy)-N-[(1S)-2,2,2-trifluoro-1-pyridin-2-ylethyl]pyridine-2-carboxamide is sourced from PubChem (CID 71105664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).