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

C21H21F3N8O — CID 118873181

IUPAC3-amino-N-[3-(4-aminopiperidin-1-yl)-2-pyridinyl]-6-[3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxamide
SMILESNc1ncc(-c2ncccc2C(F)(F)F)nc1C(=O)Nc1ncccc1N1CCC(N)CC1
InChIInChI=1S/C21H21F3N8O/c22-21(23,24)13-3-1-7-27-16(13)14-11-29-18(26)17(30-14)20(33)31-19-15(4-2-8-28-19)32-9-5-12(25)6-10-32/h1-4,7-8,11-12H,5-6,9-10,25H2,(H2,26,29)(H,28,31,33)
InChIKeyKYJCVYZGCYEQEA-UHFFFAOYSA-N
MW458.45 g/mol
LogP2.71
Rot. Bonds4

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

3-amino-N-[3-(4-aminopiperidin-1-yl)-2-pyridinyl]-6-[3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxamide (PubChem CID 118873181) has the molecular formula C21H21F3N8O and a molecular weight of 458.45 g/mol. Its IUPAC name is 3-amino-N-[3-(4-aminopiperidin-1-yl)-2-pyridinyl]-6-[3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-[3-(4-aminopiperidin-1-yl)-2-pyridinyl]-6-[3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxamide
PubChem CID118873181
Molecular FormulaC21H21F3N8O
Molecular Weight458.45 g/mol
Exact Mass458.18
IUPAC Name3-amino-N-[3-(4-aminopiperidin-1-yl)-2-pyridinyl]-6-[3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxamide
SMILESNc1ncc(-c2ncccc2C(F)(F)F)nc1C(=O)Nc1ncccc1N1CCC(N)CC1
InChIInChI=1S/C21H21F3N8O/c22-21(23,24)13-3-1-7-27-16(13)14-11-29-18(26)17(30-14)20(33)31-19-15(4-2-8-28-19)32-9-5-12(25)6-10-32/h1-4,7-8,11-12H,5-6,9-10,25H2,(H2,26,29)(H,28,31,33)
InChIKeyKYJCVYZGCYEQEA-UHFFFAOYSA-N
XLogP2.71
TPSA135.94 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.45
LogP ≤ 52.71
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-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxamide?
The IUPAC name of 3-amino-N-[3-(4-aminopiperidin-1-yl)-2-pyridinyl]-6-[3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxamide (CID 118873181) is 3-amino-N-[3-(4-aminopiperidin-1-yl)-2-pyridinyl]-6-[3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxamide.
What is the SMILES notation for 3-amino-N-[3-(4-aminopiperidin-1-yl)-2-pyridinyl]-6-[3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxamide?
The canonical SMILES for 3-amino-N-[3-(4-aminopiperidin-1-yl)-2-pyridinyl]-6-[3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxamide is Nc1ncc(-c2ncccc2C(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-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxamide?
The InChIKey is KYJCVYZGCYEQEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21F3N8O/c22-21(23,24)13-3-1-7-27-16(13)14-11-29-18(26)17(30-14)20(33)31-19-15(4-2-8-28-19)32-9-5-12(25)6-10-32/h1-4,7-8,11-12H,5-6,9-10,25H2,(H2,26,29)(H,28,31,33).
What are the key properties of 3-amino-N-[3-(4-aminopiperidin-1-yl)-2-pyridinyl]-6-[3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxamide?
3-amino-N-[3-(4-aminopiperidin-1-yl)-2-pyridinyl]-6-[3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxamide has a molecular weight of 458.45 g/mol, XLogP of 2.71, 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-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxamide is sourced from PubChem (CID 118873181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).