3-amino-N-[(3-fluoro-2-pyridinyl)methyl]-6-(1-methyl-6-oxo-3-pyridinyl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide

C20H16FN7O3 — CID 146380367

IUPAC3-amino-N-[(3-fluoro-2-pyridinyl)methyl]-6-(1-methyl-6-oxo-3-pyridinyl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide
SMILESCn1cc(-c2nc(C(=O)NCc3ncccc3F)c(N)nc2-c2ncco2)ccc1=O
InChIInChI=1S/C20H16FN7O3/c1-28-10-11(4-5-14(28)29)15-16(20-24-7-8-31-20)27-18(22)17(26-15)19(30)25-9-13-12(21)3-2-6-23-13/h2-8,10H,9H2,1H3,(H2,22,27)(H,25,30)
InChIKeyDCKGSAAFEJDERC-UHFFFAOYSA-N
MW421.39 g/mol
LogP1.54
Rot. Bonds5

About 3-amino-N-[(3-fluoro-2-pyridinyl)methyl]-6-(1-methyl-6-oxo-3-pyridinyl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide

3-amino-N-[(3-fluoro-2-pyridinyl)methyl]-6-(1-methyl-6-oxo-3-pyridinyl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide (PubChem CID 146380367) has the molecular formula C20H16FN7O3 and a molecular weight of 421.39 g/mol. Its IUPAC name is 3-amino-N-[(3-fluoro-2-pyridinyl)methyl]-6-(1-methyl-6-oxo-3-pyridinyl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-[(3-fluoro-2-pyridinyl)methyl]-6-(1-methyl-6-oxo-3-pyridinyl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide
PubChem CID146380367
Molecular FormulaC20H16FN7O3
Molecular Weight421.39 g/mol
Exact Mass421.13
IUPAC Name3-amino-N-[(3-fluoro-2-pyridinyl)methyl]-6-(1-methyl-6-oxo-3-pyridinyl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide
SMILESCn1cc(-c2nc(C(=O)NCc3ncccc3F)c(N)nc2-c2ncco2)ccc1=O
InChIInChI=1S/C20H16FN7O3/c1-28-10-11(4-5-14(28)29)15-16(20-24-7-8-31-20)27-18(22)17(26-15)19(30)25-9-13-12(21)3-2-6-23-13/h2-8,10H,9H2,1H3,(H2,22,27)(H,25,30)
InChIKeyDCKGSAAFEJDERC-UHFFFAOYSA-N
XLogP1.54
TPSA141.82 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.39
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(3-fluoro-2-pyridinyl)methyl]-6-(1-methyl-6-oxo-3-pyridinyl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide?
The IUPAC name of 3-amino-N-[(3-fluoro-2-pyridinyl)methyl]-6-(1-methyl-6-oxo-3-pyridinyl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide (CID 146380367) is 3-amino-N-[(3-fluoro-2-pyridinyl)methyl]-6-(1-methyl-6-oxo-3-pyridinyl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide.
What is the SMILES notation for 3-amino-N-[(3-fluoro-2-pyridinyl)methyl]-6-(1-methyl-6-oxo-3-pyridinyl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide?
The canonical SMILES for 3-amino-N-[(3-fluoro-2-pyridinyl)methyl]-6-(1-methyl-6-oxo-3-pyridinyl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide is Cn1cc(-c2nc(C(=O)NCc3ncccc3F)c(N)nc2-c2ncco2)ccc1=O.
What is the InChIKey of 3-amino-N-[(3-fluoro-2-pyridinyl)methyl]-6-(1-methyl-6-oxo-3-pyridinyl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide?
The InChIKey is DCKGSAAFEJDERC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FN7O3/c1-28-10-11(4-5-14(28)29)15-16(20-24-7-8-31-20)27-18(22)17(26-15)19(30)25-9-13-12(21)3-2-6-23-13/h2-8,10H,9H2,1H3,(H2,22,27)(H,25,30).
What are the key properties of 3-amino-N-[(3-fluoro-2-pyridinyl)methyl]-6-(1-methyl-6-oxo-3-pyridinyl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide?
3-amino-N-[(3-fluoro-2-pyridinyl)methyl]-6-(1-methyl-6-oxo-3-pyridinyl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide has a molecular weight of 421.39 g/mol, XLogP of 1.54, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(3-fluoro-2-pyridinyl)methyl]-6-(1-methyl-6-oxo-3-pyridinyl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide is sourced from PubChem (CID 146380367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).