(2R)-N-[6-[methyl-[(2R)-2-(2,2,2-trifluoroethoxy)propanoyl]amino]-3-pyridinyl]-2-(2,2,2-trifluoroethoxy)propanamide

C16H19F6N3O4 — CID 97244607

IUPAC(2R)-N-[6-[methyl-[(2R)-2-(2,2,2-trifluoroethoxy)propanoyl]amino]-3-pyridinyl]-2-(2,2,2-trifluoroethoxy)propanamide
SMILESC[C@@H](OCC(F)(F)F)C(=O)Nc1ccc(N(C)C(=O)[C@@H](C)OCC(F)(F)F)nc1
InChIInChI=1S/C16H19F6N3O4/c1-9(28-7-15(17,18)19)13(26)24-11-4-5-12(23-6-11)25(3)14(27)10(2)29-8-16(20,21)22/h4-6,9-10H,7-8H2,1-3H3,(H,24,26)/t9-,10-/m1/s1
InChIKeyNJFVQRIQPKYNGU-NXEZZACHSA-N
MW431.33 g/mol
LogP2.92
Rot. Bonds8

About (2R)-N-[6-[methyl-[(2R)-2-(2,2,2-trifluoroethoxy)propanoyl]amino]-3-pyridinyl]-2-(2,2,2-trifluoroethoxy)propanamide

(2R)-N-[6-[methyl-[(2R)-2-(2,2,2-trifluoroethoxy)propanoyl]amino]-3-pyridinyl]-2-(2,2,2-trifluoroethoxy)propanamide (PubChem CID 97244607) has the molecular formula C16H19F6N3O4 and a molecular weight of 431.33 g/mol. Its IUPAC name is (2R)-N-[6-[methyl-[(2R)-2-(2,2,2-trifluoroethoxy)propanoyl]amino]-3-pyridinyl]-2-(2,2,2-trifluoroethoxy)propanamide.

Molecular Properties

Compound Name(2R)-N-[6-[methyl-[(2R)-2-(2,2,2-trifluoroethoxy)propanoyl]amino]-3-pyridinyl]-2-(2,2,2-trifluoroethoxy)propanamide
PubChem CID97244607
Molecular FormulaC16H19F6N3O4
Molecular Weight431.33 g/mol
Exact Mass431.13
IUPAC Name(2R)-N-[6-[methyl-[(2R)-2-(2,2,2-trifluoroethoxy)propanoyl]amino]-3-pyridinyl]-2-(2,2,2-trifluoroethoxy)propanamide
SMILESC[C@@H](OCC(F)(F)F)C(=O)Nc1ccc(N(C)C(=O)[C@@H](C)OCC(F)(F)F)nc1
InChIInChI=1S/C16H19F6N3O4/c1-9(28-7-15(17,18)19)13(26)24-11-4-5-12(23-6-11)25(3)14(27)10(2)29-8-16(20,21)22/h4-6,9-10H,7-8H2,1-3H3,(H,24,26)/t9-,10-/m1/s1
InChIKeyNJFVQRIQPKYNGU-NXEZZACHSA-N
XLogP2.92
TPSA80.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.33
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R)-N-[6-[methyl-[(2R)-2-(2,2,2-trifluoroethoxy)propanoyl]amino]-3-pyridinyl]-2-(2,2,2-trifluoroethoxy)propanamide?
The IUPAC name of (2R)-N-[6-[methyl-[(2R)-2-(2,2,2-trifluoroethoxy)propanoyl]amino]-3-pyridinyl]-2-(2,2,2-trifluoroethoxy)propanamide (CID 97244607) is (2R)-N-[6-[methyl-[(2R)-2-(2,2,2-trifluoroethoxy)propanoyl]amino]-3-pyridinyl]-2-(2,2,2-trifluoroethoxy)propanamide.
What is the SMILES notation for (2R)-N-[6-[methyl-[(2R)-2-(2,2,2-trifluoroethoxy)propanoyl]amino]-3-pyridinyl]-2-(2,2,2-trifluoroethoxy)propanamide?
The canonical SMILES for (2R)-N-[6-[methyl-[(2R)-2-(2,2,2-trifluoroethoxy)propanoyl]amino]-3-pyridinyl]-2-(2,2,2-trifluoroethoxy)propanamide is C[C@@H](OCC(F)(F)F)C(=O)Nc1ccc(N(C)C(=O)[C@@H](C)OCC(F)(F)F)nc1.
What is the InChIKey of (2R)-N-[6-[methyl-[(2R)-2-(2,2,2-trifluoroethoxy)propanoyl]amino]-3-pyridinyl]-2-(2,2,2-trifluoroethoxy)propanamide?
The InChIKey is NJFVQRIQPKYNGU-NXEZZACHSA-N. The full InChI is InChI=1S/C16H19F6N3O4/c1-9(28-7-15(17,18)19)13(26)24-11-4-5-12(23-6-11)25(3)14(27)10(2)29-8-16(20,21)22/h4-6,9-10H,7-8H2,1-3H3,(H,24,26)/t9-,10-/m1/s1.
What are the key properties of (2R)-N-[6-[methyl-[(2R)-2-(2,2,2-trifluoroethoxy)propanoyl]amino]-3-pyridinyl]-2-(2,2,2-trifluoroethoxy)propanamide?
(2R)-N-[6-[methyl-[(2R)-2-(2,2,2-trifluoroethoxy)propanoyl]amino]-3-pyridinyl]-2-(2,2,2-trifluoroethoxy)propanamide has a molecular weight of 431.33 g/mol, XLogP of 2.92, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[6-[methyl-[(2R)-2-(2,2,2-trifluoroethoxy)propanoyl]amino]-3-pyridinyl]-2-(2,2,2-trifluoroethoxy)propanamide is sourced from PubChem (CID 97244607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).