3-fluoro-2-methyl-N-[5-[4-methyl-1-(2-methyltetrazol-5-yl)-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]benzamide

C20H21FN8O — CID 69280960

IUPAC3-fluoro-2-methyl-N-[5-[4-methyl-1-(2-methyltetrazol-5-yl)-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]benzamide
SMILESCC1=C(c2cnc(NC(=O)c3cccc(F)c3C)cn2)CN(c2nnn(C)n2)CC1
InChIInChI=1S/C20H21FN8O/c1-12-7-8-29(20-25-27-28(3)26-20)11-15(12)17-9-23-18(10-22-17)24-19(30)14-5-4-6-16(21)13(14)2/h4-6,9-10H,7-8,11H2,1-3H3,(H,23,24,30)
InChIKeyLIPZOOOGNATREN-UHFFFAOYSA-N
MW408.44 g/mol
LogP2.38
Rot. Bonds4

About 3-fluoro-2-methyl-N-[5-[4-methyl-1-(2-methyltetrazol-5-yl)-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]benzamide

3-fluoro-2-methyl-N-[5-[4-methyl-1-(2-methyltetrazol-5-yl)-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]benzamide (PubChem CID 69280960) has the molecular formula C20H21FN8O and a molecular weight of 408.44 g/mol. Its IUPAC name is 3-fluoro-2-methyl-N-[5-[4-methyl-1-(2-methyltetrazol-5-yl)-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]benzamide.

Molecular Properties

Compound Name3-fluoro-2-methyl-N-[5-[4-methyl-1-(2-methyltetrazol-5-yl)-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]benzamide
PubChem CID69280960
Molecular FormulaC20H21FN8O
Molecular Weight408.44 g/mol
Exact Mass408.18
IUPAC Name3-fluoro-2-methyl-N-[5-[4-methyl-1-(2-methyltetrazol-5-yl)-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]benzamide
SMILESCC1=C(c2cnc(NC(=O)c3cccc(F)c3C)cn2)CN(c2nnn(C)n2)CC1
InChIInChI=1S/C20H21FN8O/c1-12-7-8-29(20-25-27-28(3)26-20)11-15(12)17-9-23-18(10-22-17)24-19(30)14-5-4-6-16(21)13(14)2/h4-6,9-10H,7-8,11H2,1-3H3,(H,23,24,30)
InChIKeyLIPZOOOGNATREN-UHFFFAOYSA-N
XLogP2.38
TPSA101.72 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.44
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-methyl-N-[5-[4-methyl-1-(2-methyltetrazol-5-yl)-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]benzamide?
The IUPAC name of 3-fluoro-2-methyl-N-[5-[4-methyl-1-(2-methyltetrazol-5-yl)-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]benzamide (CID 69280960) is 3-fluoro-2-methyl-N-[5-[4-methyl-1-(2-methyltetrazol-5-yl)-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]benzamide.
What is the SMILES notation for 3-fluoro-2-methyl-N-[5-[4-methyl-1-(2-methyltetrazol-5-yl)-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]benzamide?
The canonical SMILES for 3-fluoro-2-methyl-N-[5-[4-methyl-1-(2-methyltetrazol-5-yl)-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]benzamide is CC1=C(c2cnc(NC(=O)c3cccc(F)c3C)cn2)CN(c2nnn(C)n2)CC1.
What is the InChIKey of 3-fluoro-2-methyl-N-[5-[4-methyl-1-(2-methyltetrazol-5-yl)-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]benzamide?
The InChIKey is LIPZOOOGNATREN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN8O/c1-12-7-8-29(20-25-27-28(3)26-20)11-15(12)17-9-23-18(10-22-17)24-19(30)14-5-4-6-16(21)13(14)2/h4-6,9-10H,7-8,11H2,1-3H3,(H,23,24,30).
What are the key properties of 3-fluoro-2-methyl-N-[5-[4-methyl-1-(2-methyltetrazol-5-yl)-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]benzamide?
3-fluoro-2-methyl-N-[5-[4-methyl-1-(2-methyltetrazol-5-yl)-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]benzamide has a molecular weight of 408.44 g/mol, XLogP of 2.38, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2-methyl-N-[5-[4-methyl-1-(2-methyltetrazol-5-yl)-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]benzamide is sourced from PubChem (CID 69280960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).