N-[4-[4-[(2S)-2-amino-2,4-dimethylpentoxy]-3-(trifluoromethyl)phenyl]-2-pyridinyl]pyrazine-2-carboxamide

C24H26F3N5O2 — CID 137459427

IUPACN-[4-[4-[(2S)-2-amino-2,4-dimethylpentoxy]-3-(trifluoromethyl)phenyl]-2-pyridinyl]pyrazine-2-carboxamide
SMILESCC(C)C[C@](C)(N)COc1ccc(-c2ccnc(NC(=O)c3cnccn3)c2)cc1C(F)(F)F
InChIInChI=1S/C24H26F3N5O2/c1-15(2)12-23(3,28)14-34-20-5-4-16(10-18(20)24(25,26)27)17-6-7-31-21(11-17)32-22(33)19-13-29-8-9-30-19/h4-11,13,15H,12,14,28H2,1-3H3,(H,31,32,33)/t23-/m0/s1
InChIKeySZBOBRBIJXJDGF-QHCPKHFHSA-N
MW473.50 g/mol
LogP4.95
Rot. Bonds8

About N-[4-[4-[(2S)-2-amino-2,4-dimethylpentoxy]-3-(trifluoromethyl)phenyl]-2-pyridinyl]pyrazine-2-carboxamide

N-[4-[4-[(2S)-2-amino-2,4-dimethylpentoxy]-3-(trifluoromethyl)phenyl]-2-pyridinyl]pyrazine-2-carboxamide (PubChem CID 137459427) has the molecular formula C24H26F3N5O2 and a molecular weight of 473.50 g/mol. Its IUPAC name is N-[4-[4-[(2S)-2-amino-2,4-dimethylpentoxy]-3-(trifluoromethyl)phenyl]-2-pyridinyl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[4-[4-[(2S)-2-amino-2,4-dimethylpentoxy]-3-(trifluoromethyl)phenyl]-2-pyridinyl]pyrazine-2-carboxamide
PubChem CID137459427
Molecular FormulaC24H26F3N5O2
Molecular Weight473.50 g/mol
Exact Mass473.20
IUPAC NameN-[4-[4-[(2S)-2-amino-2,4-dimethylpentoxy]-3-(trifluoromethyl)phenyl]-2-pyridinyl]pyrazine-2-carboxamide
SMILESCC(C)C[C@](C)(N)COc1ccc(-c2ccnc(NC(=O)c3cnccn3)c2)cc1C(F)(F)F
InChIInChI=1S/C24H26F3N5O2/c1-15(2)12-23(3,28)14-34-20-5-4-16(10-18(20)24(25,26)27)17-6-7-31-21(11-17)32-22(33)19-13-29-8-9-30-19/h4-11,13,15H,12,14,28H2,1-3H3,(H,31,32,33)/t23-/m0/s1
InChIKeySZBOBRBIJXJDGF-QHCPKHFHSA-N
XLogP4.95
TPSA103.02 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.50
LogP ≤ 54.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-[4-[(2S)-2-amino-2,4-dimethylpentoxy]-3-(trifluoromethyl)phenyl]-2-pyridinyl]pyrazine-2-carboxamide?
The IUPAC name of N-[4-[4-[(2S)-2-amino-2,4-dimethylpentoxy]-3-(trifluoromethyl)phenyl]-2-pyridinyl]pyrazine-2-carboxamide (CID 137459427) is N-[4-[4-[(2S)-2-amino-2,4-dimethylpentoxy]-3-(trifluoromethyl)phenyl]-2-pyridinyl]pyrazine-2-carboxamide.
What is the SMILES notation for N-[4-[4-[(2S)-2-amino-2,4-dimethylpentoxy]-3-(trifluoromethyl)phenyl]-2-pyridinyl]pyrazine-2-carboxamide?
The canonical SMILES for N-[4-[4-[(2S)-2-amino-2,4-dimethylpentoxy]-3-(trifluoromethyl)phenyl]-2-pyridinyl]pyrazine-2-carboxamide is CC(C)C[C@](C)(N)COc1ccc(-c2ccnc(NC(=O)c3cnccn3)c2)cc1C(F)(F)F.
What is the InChIKey of N-[4-[4-[(2S)-2-amino-2,4-dimethylpentoxy]-3-(trifluoromethyl)phenyl]-2-pyridinyl]pyrazine-2-carboxamide?
The InChIKey is SZBOBRBIJXJDGF-QHCPKHFHSA-N. The full InChI is InChI=1S/C24H26F3N5O2/c1-15(2)12-23(3,28)14-34-20-5-4-16(10-18(20)24(25,26)27)17-6-7-31-21(11-17)32-22(33)19-13-29-8-9-30-19/h4-11,13,15H,12,14,28H2,1-3H3,(H,31,32,33)/t23-/m0/s1.
What are the key properties of N-[4-[4-[(2S)-2-amino-2,4-dimethylpentoxy]-3-(trifluoromethyl)phenyl]-2-pyridinyl]pyrazine-2-carboxamide?
N-[4-[4-[(2S)-2-amino-2,4-dimethylpentoxy]-3-(trifluoromethyl)phenyl]-2-pyridinyl]pyrazine-2-carboxamide has a molecular weight of 473.50 g/mol, XLogP of 4.95, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-[(2S)-2-amino-2,4-dimethylpentoxy]-3-(trifluoromethyl)phenyl]-2-pyridinyl]pyrazine-2-carboxamide is sourced from PubChem (CID 137459427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).