N-(2,6-difluorophenyl)-5-[4-methyl-1-(2-methyltetrazol-5-yl)-3,6-dihydro-2H-pyridin-5-yl]pyrazine-2-carboxamide

C19H18F2N8O — CID 69281087

IUPACN-(2,6-difluorophenyl)-5-[4-methyl-1-(2-methyltetrazol-5-yl)-3,6-dihydro-2H-pyridin-5-yl]pyrazine-2-carboxamide
SMILESCC1=C(c2cnc(C(=O)Nc3c(F)cccc3F)cn2)CN(c2nnn(C)n2)CC1
InChIInChI=1S/C19H18F2N8O/c1-11-6-7-29(19-25-27-28(2)26-19)10-12(11)15-8-23-16(9-22-15)18(30)24-17-13(20)4-3-5-14(17)21/h3-5,8-9H,6-7,10H2,1-2H3,(H,24,30)
InChIKeyZDOGNNCDMSZIFJ-UHFFFAOYSA-N
MW412.40 g/mol
LogP2.21
Rot. Bonds4

About N-(2,6-difluorophenyl)-5-[4-methyl-1-(2-methyltetrazol-5-yl)-3,6-dihydro-2H-pyridin-5-yl]pyrazine-2-carboxamide

N-(2,6-difluorophenyl)-5-[4-methyl-1-(2-methyltetrazol-5-yl)-3,6-dihydro-2H-pyridin-5-yl]pyrazine-2-carboxamide (PubChem CID 69281087) has the molecular formula C19H18F2N8O and a molecular weight of 412.40 g/mol. Its IUPAC name is N-(2,6-difluorophenyl)-5-[4-methyl-1-(2-methyltetrazol-5-yl)-3,6-dihydro-2H-pyridin-5-yl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-(2,6-difluorophenyl)-5-[4-methyl-1-(2-methyltetrazol-5-yl)-3,6-dihydro-2H-pyridin-5-yl]pyrazine-2-carboxamide
PubChem CID69281087
Molecular FormulaC19H18F2N8O
Molecular Weight412.40 g/mol
Exact Mass412.16
IUPAC NameN-(2,6-difluorophenyl)-5-[4-methyl-1-(2-methyltetrazol-5-yl)-3,6-dihydro-2H-pyridin-5-yl]pyrazine-2-carboxamide
SMILESCC1=C(c2cnc(C(=O)Nc3c(F)cccc3F)cn2)CN(c2nnn(C)n2)CC1
InChIInChI=1S/C19H18F2N8O/c1-11-6-7-29(19-25-27-28(2)26-19)10-12(11)15-8-23-16(9-22-15)18(30)24-17-13(20)4-3-5-14(17)21/h3-5,8-9H,6-7,10H2,1-2H3,(H,24,30)
InChIKeyZDOGNNCDMSZIFJ-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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Related Compounds

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
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
N-[5-(1-cyano-4-methyl-3,6-dihydro-2H-pyridin-5-yl)pyrazin-2-yl]-2,6-difluorobenzamide;2,6-difluoro-N-[5-[4-methyl-1-(1-methyltetrazol-5-yl)-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]benzamide;2,6-difluoro-N-[5-[4-methyl-1-(2-methyltetrazol-5-yl)-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]benzamide;2,6-difluoro-N-[5-[4-methyl-1-(2H-tetrazol-5-yl)-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]benzamide
CID 158461826
N-(2,6-difluorophenyl)-5-methylpyrazine-2-carboxamide
CID 51158953
2,3-dichloro-N-[4-[4-methyl-1-(2-methyltetrazol-5-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]benzamide
CID 69281065
N-[5-[1-(5-ethyl-1,3-thiazol-2-yl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]-2,6-difluorobenzamide
CID 45275151
N-(2,6-difluorophenyl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)pyrimidine-4-carboxamide
CID 109308085
N-(2,6-difluorophenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidine-4-carboxamide
CID 109310649
2-(azepan-1-yl)-N-(2,6-difluorophenyl)pyrimidine-4-carboxamide
CID 109313282
2-(4-acetylpiperazin-1-yl)-N-(2,6-difluorophenyl)pyrimidine-4-carboxamide
CID 109303109
N-(2,6-difluorophenyl)-2-methyl-6-pyrrolidin-1-ylpyrimidine-4-carboxamide
CID 109362878
N-(2,6-difluorophenyl)-5-(2,5-dimethylanilino)pyrazine-2-carboxamide
CID 109290960

Frequently Asked Questions

What is the IUPAC name of N-(2,6-difluorophenyl)-5-[4-methyl-1-(2-methyltetrazol-5-yl)-3,6-dihydro-2H-pyridin-5-yl]pyrazine-2-carboxamide?
The IUPAC name of N-(2,6-difluorophenyl)-5-[4-methyl-1-(2-methyltetrazol-5-yl)-3,6-dihydro-2H-pyridin-5-yl]pyrazine-2-carboxamide (CID 69281087) is N-(2,6-difluorophenyl)-5-[4-methyl-1-(2-methyltetrazol-5-yl)-3,6-dihydro-2H-pyridin-5-yl]pyrazine-2-carboxamide.
What is the SMILES notation for N-(2,6-difluorophenyl)-5-[4-methyl-1-(2-methyltetrazol-5-yl)-3,6-dihydro-2H-pyridin-5-yl]pyrazine-2-carboxamide?
The canonical SMILES for N-(2,6-difluorophenyl)-5-[4-methyl-1-(2-methyltetrazol-5-yl)-3,6-dihydro-2H-pyridin-5-yl]pyrazine-2-carboxamide is CC1=C(c2cnc(C(=O)Nc3c(F)cccc3F)cn2)CN(c2nnn(C)n2)CC1.
What is the InChIKey of N-(2,6-difluorophenyl)-5-[4-methyl-1-(2-methyltetrazol-5-yl)-3,6-dihydro-2H-pyridin-5-yl]pyrazine-2-carboxamide?
The InChIKey is ZDOGNNCDMSZIFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F2N8O/c1-11-6-7-29(19-25-27-28(2)26-19)10-12(11)15-8-23-16(9-22-15)18(30)24-17-13(20)4-3-5-14(17)21/h3-5,8-9H,6-7,10H2,1-2H3,(H,24,30).
What are the key properties of N-(2,6-difluorophenyl)-5-[4-methyl-1-(2-methyltetrazol-5-yl)-3,6-dihydro-2H-pyridin-5-yl]pyrazine-2-carboxamide?
N-(2,6-difluorophenyl)-5-[4-methyl-1-(2-methyltetrazol-5-yl)-3,6-dihydro-2H-pyridin-5-yl]pyrazine-2-carboxamide 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 N-(2,6-difluorophenyl)-5-[4-methyl-1-(2-methyltetrazol-5-yl)-3,6-dihydro-2H-pyridin-5-yl]pyrazine-2-carboxamide is sourced from PubChem (CID 69281087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).