3-amino-N-[3-(4-aminopiperidin-1-yl)-2-pyridinyl]-6-[3,6-bis(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxamide

C22H20F6N8O — CID 118873180

IUPAC3-amino-N-[3-(4-aminopiperidin-1-yl)-2-pyridinyl]-6-[3,6-bis(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxamide
SMILESNc1ncc(-c2nc(C(F)(F)F)ccc2C(F)(F)F)nc1C(=O)Nc1ncccc1N1CCC(N)CC1
InChIInChI=1S/C22H20F6N8O/c23-21(24,25)12-3-4-15(22(26,27)28)34-16(12)13-10-32-18(30)17(33-13)20(37)35-19-14(2-1-7-31-19)36-8-5-11(29)6-9-36/h1-4,7,10-11H,5-6,8-9,29H2,(H2,30,32)(H,31,35,37)
InChIKeyUZDDRLFGKXVQQG-UHFFFAOYSA-N
MW526.45 g/mol
LogP3.73
Rot. Bonds4

About 3-amino-N-[3-(4-aminopiperidin-1-yl)-2-pyridinyl]-6-[3,6-bis(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxamide

3-amino-N-[3-(4-aminopiperidin-1-yl)-2-pyridinyl]-6-[3,6-bis(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxamide (PubChem CID 118873180) has the molecular formula C22H20F6N8O and a molecular weight of 526.45 g/mol. Its IUPAC name is 3-amino-N-[3-(4-aminopiperidin-1-yl)-2-pyridinyl]-6-[3,6-bis(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-[3-(4-aminopiperidin-1-yl)-2-pyridinyl]-6-[3,6-bis(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxamide
PubChem CID118873180
Molecular FormulaC22H20F6N8O
Molecular Weight526.45 g/mol
Exact Mass526.17
IUPAC Name3-amino-N-[3-(4-aminopiperidin-1-yl)-2-pyridinyl]-6-[3,6-bis(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxamide
SMILESNc1ncc(-c2nc(C(F)(F)F)ccc2C(F)(F)F)nc1C(=O)Nc1ncccc1N1CCC(N)CC1
InChIInChI=1S/C22H20F6N8O/c23-21(24,25)12-3-4-15(22(26,27)28)34-16(12)13-10-32-18(30)17(33-13)20(37)35-19-14(2-1-7-31-19)36-8-5-11(29)6-9-36/h1-4,7,10-11H,5-6,8-9,29H2,(H2,30,32)(H,31,35,37)
InChIKeyUZDDRLFGKXVQQG-UHFFFAOYSA-N
XLogP3.73
TPSA135.94 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500526.45
LogP ≤ 53.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[3-(4-aminopiperidin-1-yl)-2-pyridinyl]-6-[3,6-bis(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxamide?
The IUPAC name of 3-amino-N-[3-(4-aminopiperidin-1-yl)-2-pyridinyl]-6-[3,6-bis(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxamide (CID 118873180) is 3-amino-N-[3-(4-aminopiperidin-1-yl)-2-pyridinyl]-6-[3,6-bis(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxamide.
What is the SMILES notation for 3-amino-N-[3-(4-aminopiperidin-1-yl)-2-pyridinyl]-6-[3,6-bis(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxamide?
The canonical SMILES for 3-amino-N-[3-(4-aminopiperidin-1-yl)-2-pyridinyl]-6-[3,6-bis(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxamide is Nc1ncc(-c2nc(C(F)(F)F)ccc2C(F)(F)F)nc1C(=O)Nc1ncccc1N1CCC(N)CC1.
What is the InChIKey of 3-amino-N-[3-(4-aminopiperidin-1-yl)-2-pyridinyl]-6-[3,6-bis(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxamide?
The InChIKey is UZDDRLFGKXVQQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F6N8O/c23-21(24,25)12-3-4-15(22(26,27)28)34-16(12)13-10-32-18(30)17(33-13)20(37)35-19-14(2-1-7-31-19)36-8-5-11(29)6-9-36/h1-4,7,10-11H,5-6,8-9,29H2,(H2,30,32)(H,31,35,37).
What are the key properties of 3-amino-N-[3-(4-aminopiperidin-1-yl)-2-pyridinyl]-6-[3,6-bis(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxamide?
3-amino-N-[3-(4-aminopiperidin-1-yl)-2-pyridinyl]-6-[3,6-bis(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxamide has a molecular weight of 526.45 g/mol, XLogP of 3.73, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[3-(4-aminopiperidin-1-yl)-2-pyridinyl]-6-[3,6-bis(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxamide is sourced from PubChem (CID 118873180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).