2-methylpropan-2-amine;N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]pyrazine-2-carboxamide

C19H25F3N4O2 — CID 171924976

IUPAC2-methylpropan-2-amine;N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]pyrazine-2-carboxamide
SMILESCC(C)(C)N.O=C(NCc1ccc(COCC(F)(F)F)cc1)c1cnccn1
InChIInChI=1S/C15H14F3N3O2.C4H11N/c16-15(17,18)10-23-9-12-3-1-11(2-4-12)7-21-14(22)13-8-19-5-6-20-13;1-4(2,3)5/h1-6,8H,7,9-10H2,(H,21,22);5H2,1-3H3
InChIKeyNADMENGNLHMVBW-UHFFFAOYSA-N
MW398.43 g/mol
LogP3.23
Rot. Bonds6

About 2-methylpropan-2-amine;N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]pyrazine-2-carboxamide

2-methylpropan-2-amine;N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]pyrazine-2-carboxamide (PubChem CID 171924976) has the molecular formula C19H25F3N4O2 and a molecular weight of 398.43 g/mol. Its IUPAC name is 2-methylpropan-2-amine;N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name2-methylpropan-2-amine;N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]pyrazine-2-carboxamide
PubChem CID171924976
Molecular FormulaC19H25F3N4O2
Molecular Weight398.43 g/mol
Exact Mass398.19
IUPAC Name2-methylpropan-2-amine;N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]pyrazine-2-carboxamide
SMILESCC(C)(C)N.O=C(NCc1ccc(COCC(F)(F)F)cc1)c1cnccn1
InChIInChI=1S/C15H14F3N3O2.C4H11N/c16-15(17,18)10-23-9-12-3-1-11(2-4-12)7-21-14(22)13-8-19-5-6-20-13;1-4(2,3)5/h1-6,8H,7,9-10H2,(H,21,22);5H2,1-3H3
InChIKeyNADMENGNLHMVBW-UHFFFAOYSA-N
XLogP3.23
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.43
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methylpropan-2-amine;N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]pyrazine-2-carboxamide?
The IUPAC name of 2-methylpropan-2-amine;N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]pyrazine-2-carboxamide (CID 171924976) is 2-methylpropan-2-amine;N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]pyrazine-2-carboxamide.
What is the SMILES notation for 2-methylpropan-2-amine;N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]pyrazine-2-carboxamide?
The canonical SMILES for 2-methylpropan-2-amine;N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]pyrazine-2-carboxamide is CC(C)(C)N.O=C(NCc1ccc(COCC(F)(F)F)cc1)c1cnccn1.
What is the InChIKey of 2-methylpropan-2-amine;N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]pyrazine-2-carboxamide?
The InChIKey is NADMENGNLHMVBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3N3O2.C4H11N/c16-15(17,18)10-23-9-12-3-1-11(2-4-12)7-21-14(22)13-8-19-5-6-20-13;1-4(2,3)5/h1-6,8H,7,9-10H2,(H,21,22);5H2,1-3H3.
What are the key properties of 2-methylpropan-2-amine;N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]pyrazine-2-carboxamide?
2-methylpropan-2-amine;N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]pyrazine-2-carboxamide has a molecular weight of 398.43 g/mol, XLogP of 3.23, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropan-2-amine;N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]pyrazine-2-carboxamide is sourced from PubChem (CID 171924976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).