N-[4-[1-(3-cyanopyrazin-2-yl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]phenyl]-2,6-difluorobenzamide

C24H19F2N5O — CID 66744848

IUPACN-[4-[1-(3-cyanopyrazin-2-yl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]phenyl]-2,6-difluorobenzamide
SMILESCC1=C(c2ccc(NC(=O)c3c(F)cccc3F)cc2)CN(c2nccnc2C#N)CC1
InChIInChI=1S/C24H19F2N5O/c1-15-9-12-31(23-21(13-27)28-10-11-29-23)14-18(15)16-5-7-17(8-6-16)30-24(32)22-19(25)3-2-4-20(22)26/h2-8,10-11H,9,12,14H2,1H3,(H,30,32)
InChIKeyBNJZZCQBQFWROB-UHFFFAOYSA-N
MW431.45 g/mol
LogP4.56
Rot. Bonds4

About N-[4-[1-(3-cyanopyrazin-2-yl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]phenyl]-2,6-difluorobenzamide

N-[4-[1-(3-cyanopyrazin-2-yl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]phenyl]-2,6-difluorobenzamide (PubChem CID 66744848) has the molecular formula C24H19F2N5O and a molecular weight of 431.45 g/mol. Its IUPAC name is N-[4-[1-(3-cyanopyrazin-2-yl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]phenyl]-2,6-difluorobenzamide.

Molecular Properties

Compound NameN-[4-[1-(3-cyanopyrazin-2-yl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]phenyl]-2,6-difluorobenzamide
PubChem CID66744848
Molecular FormulaC24H19F2N5O
Molecular Weight431.45 g/mol
Exact Mass431.16
IUPAC NameN-[4-[1-(3-cyanopyrazin-2-yl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]phenyl]-2,6-difluorobenzamide
SMILESCC1=C(c2ccc(NC(=O)c3c(F)cccc3F)cc2)CN(c2nccnc2C#N)CC1
InChIInChI=1S/C24H19F2N5O/c1-15-9-12-31(23-21(13-27)28-10-11-29-23)14-18(15)16-5-7-17(8-6-16)30-24(32)22-19(25)3-2-4-20(22)26/h2-8,10-11H,9,12,14H2,1H3,(H,30,32)
InChIKeyBNJZZCQBQFWROB-UHFFFAOYSA-N
XLogP4.56
TPSA81.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.45
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-fluoro-6-hydroxy-N-[4-[4-methyl-1-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]benzamide
CID 59785762
2,4,6-trifluoro-N-[4-[4-methyl-1-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]benzamide;hydrochloride
CID 67159289
2-fluoro-N-[4-[4-methyl-1-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]benzamide
CID 45109849
N-[4-(1-cyano-4-formyl-3,6-dihydro-2H-pyridin-5-yl)phenyl]-2,6-difluorobenzamide
CID 89250978
1-(2,6-difluorophenyl)-2-[4-(4-methyl-1-pyrimidin-2-yl-3,6-dihydro-2H-pyridin-5-yl)phenyl]ethanone
CID 58110522
2-fluoro-4-methyl-N-[4-[4-methyl-1-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]benzamide
CID 70451249
1-[2-(3-cyanopyrazin-2-yl)-3,4-dihydro-1H-isoquinolin-5-yl]-3-phenylurea
CID 133295945
2-chloro-N-[4-[4-chloro-1-(1-methyltriazol-4-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]-6-fluorobenzamide
CID 123400866
2,6-difluoro-N-(4-methylphenyl)benzamide;ethane
CID 143234800
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
2-[4-[1-(3-fluoro-2-pyridinyl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]phenyl]-1-(3-methyl-4-pyridinyl)ethanone
CID 158384934
N-[4-(1-cyano-4-methyl-3,6-dihydro-2H-pyridin-5-yl)-6-methylcyclohexa-1,3-dien-1-yl]-2,6-difluorobenzamide
CID 143518331

Frequently Asked Questions

What is the IUPAC name of N-[4-[1-(3-cyanopyrazin-2-yl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]phenyl]-2,6-difluorobenzamide?
The IUPAC name of N-[4-[1-(3-cyanopyrazin-2-yl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]phenyl]-2,6-difluorobenzamide (CID 66744848) is N-[4-[1-(3-cyanopyrazin-2-yl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]phenyl]-2,6-difluorobenzamide.
What is the SMILES notation for N-[4-[1-(3-cyanopyrazin-2-yl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]phenyl]-2,6-difluorobenzamide?
The canonical SMILES for N-[4-[1-(3-cyanopyrazin-2-yl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]phenyl]-2,6-difluorobenzamide is CC1=C(c2ccc(NC(=O)c3c(F)cccc3F)cc2)CN(c2nccnc2C#N)CC1.
What is the InChIKey of N-[4-[1-(3-cyanopyrazin-2-yl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]phenyl]-2,6-difluorobenzamide?
The InChIKey is BNJZZCQBQFWROB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19F2N5O/c1-15-9-12-31(23-21(13-27)28-10-11-29-23)14-18(15)16-5-7-17(8-6-16)30-24(32)22-19(25)3-2-4-20(22)26/h2-8,10-11H,9,12,14H2,1H3,(H,30,32).
What are the key properties of N-[4-[1-(3-cyanopyrazin-2-yl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]phenyl]-2,6-difluorobenzamide?
N-[4-[1-(3-cyanopyrazin-2-yl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]phenyl]-2,6-difluorobenzamide has a molecular weight of 431.45 g/mol, XLogP of 4.56, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[1-(3-cyanopyrazin-2-yl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]phenyl]-2,6-difluorobenzamide is sourced from PubChem (CID 66744848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).