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

C19H18F2N8O — CID 69280980

IUPAC2,3-difluoro-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)c3F)cn2)CN(c2nnn(C)n2)CC1
InChIInChI=1S/C19H18F2N8O/c1-11-6-7-29(19-25-27-28(2)26-19)10-13(11)15-8-23-16(9-22-15)24-18(30)12-4-3-5-14(20)17(12)21/h3-5,8-9H,6-7,10H2,1-2H3,(H,23,24,30)
InChIKeyNPKDNUVHOSAQNT-UHFFFAOYSA-N
MW412.40 g/mol
LogP2.21
Rot. Bonds4

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

2,3-difluoro-N-[5-[4-methyl-1-(2-methyltetrazol-5-yl)-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]benzamide (PubChem CID 69280980) has the molecular formula C19H18F2N8O and a molecular weight of 412.40 g/mol. Its IUPAC name is 2,3-difluoro-N-[5-[4-methyl-1-(2-methyltetrazol-5-yl)-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]benzamide.

Molecular Properties

Compound Name2,3-difluoro-N-[5-[4-methyl-1-(2-methyltetrazol-5-yl)-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]benzamide
PubChem CID69280980
Molecular FormulaC19H18F2N8O
Molecular Weight412.40 g/mol
Exact Mass412.16
IUPAC Name2,3-difluoro-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)c3F)cn2)CN(c2nnn(C)n2)CC1
InChIInChI=1S/C19H18F2N8O/c1-11-6-7-29(19-25-27-28(2)26-19)10-13(11)15-8-23-16(9-22-15)24-18(30)12-4-3-5-14(20)17(12)21/h3-5,8-9H,6-7,10H2,1-2H3,(H,23,24,30)
InChIKeyNPKDNUVHOSAQNT-UHFFFAOYSA-N
XLogP2.21
TPSA101.72 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.40
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2,3-difluoro-N-[5-[4-methyl-1-(2-methyltetrazol-5-yl)-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]benzamide?
The IUPAC name of 2,3-difluoro-N-[5-[4-methyl-1-(2-methyltetrazol-5-yl)-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]benzamide (CID 69280980) is 2,3-difluoro-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 2,3-difluoro-N-[5-[4-methyl-1-(2-methyltetrazol-5-yl)-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]benzamide?
The canonical SMILES for 2,3-difluoro-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)c3F)cn2)CN(c2nnn(C)n2)CC1.
What is the InChIKey of 2,3-difluoro-N-[5-[4-methyl-1-(2-methyltetrazol-5-yl)-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]benzamide?
The InChIKey is NPKDNUVHOSAQNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F2N8O/c1-11-6-7-29(19-25-27-28(2)26-19)10-13(11)15-8-23-16(9-22-15)24-18(30)12-4-3-5-14(20)17(12)21/h3-5,8-9H,6-7,10H2,1-2H3,(H,23,24,30).
What are the key properties of 2,3-difluoro-N-[5-[4-methyl-1-(2-methyltetrazol-5-yl)-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]benzamide?
2,3-difluoro-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 412.40 g/mol, XLogP of 2.21, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-difluoro-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 69280980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).