N-[3-methyl-4-(1,2,3,6-tetrahydropyridin-4-yl)phenyl]-2,3-dihydro-1H-isoindole-5-carboxamide

C21H23N3O — CID 165118046

IUPACN-[3-methyl-4-(1,2,3,6-tetrahydropyridin-4-yl)phenyl]-2,3-dihydro-1H-isoindole-5-carboxamide
SMILESCc1cc(NC(=O)c2ccc3c(c2)CNC3)ccc1C1=CCNCC1
InChIInChI=1S/C21H23N3O/c1-14-10-19(4-5-20(14)15-6-8-22-9-7-15)24-21(25)16-2-3-17-12-23-13-18(17)11-16/h2-6,10-11,22-23H,7-9,12-13H2,1H3,(H,24,25)
InChIKeyKZZUJULQUDBTAS-UHFFFAOYSA-N
MW333.44 g/mol
LogP3.23
Rot. Bonds3

About N-[3-methyl-4-(1,2,3,6-tetrahydropyridin-4-yl)phenyl]-2,3-dihydro-1H-isoindole-5-carboxamide

N-[3-methyl-4-(1,2,3,6-tetrahydropyridin-4-yl)phenyl]-2,3-dihydro-1H-isoindole-5-carboxamide (PubChem CID 165118046) has the molecular formula C21H23N3O and a molecular weight of 333.44 g/mol. Its IUPAC name is N-[3-methyl-4-(1,2,3,6-tetrahydropyridin-4-yl)phenyl]-2,3-dihydro-1H-isoindole-5-carboxamide.

Molecular Properties

Compound NameN-[3-methyl-4-(1,2,3,6-tetrahydropyridin-4-yl)phenyl]-2,3-dihydro-1H-isoindole-5-carboxamide
PubChem CID165118046
Molecular FormulaC21H23N3O
Molecular Weight333.44 g/mol
Exact Mass333.18
IUPAC NameN-[3-methyl-4-(1,2,3,6-tetrahydropyridin-4-yl)phenyl]-2,3-dihydro-1H-isoindole-5-carboxamide
SMILESCc1cc(NC(=O)c2ccc3c(c2)CNC3)ccc1C1=CCNCC1
InChIInChI=1S/C21H23N3O/c1-14-10-19(4-5-20(14)15-6-8-22-9-7-15)24-21(25)16-2-3-17-12-23-13-18(17)11-16/h2-6,10-11,22-23H,7-9,12-13H2,1H3,(H,24,25)
InChIKeyKZZUJULQUDBTAS-UHFFFAOYSA-N
XLogP3.23
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 53.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-fluoro-N-[3-methyl-4-(1,2,3,6-tetrahydropyridin-4-yl)phenyl]-4-(1,2,3,6-tetrahydropyridin-4-yl)benzamide;(Z,3E)-3-hydrazinylideneprop-1-en-1-amine
CID 165118361
N-(4-methoxy-3-methylphenyl)-2,3-dihydro-1H-isoindole-5-carboxamide
CID 103998750
3-methyl-4-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-N-[4-(1,2,3,6-tetrahydropyridin-4-yl)phenyl]benzamide
CID 165119073
4-(2,3-dihydro-1H-isoindole-5-carbonylamino)benzoic acid
CID 115866991
3-chloro-N-[3-chloro-4-(1,2,3,6-tetrahydropyridin-4-yl)phenyl]-4-(1,2,3,6-tetrahydropyridin-4-yl)benzamide;bis(2,2,2-trifluoroacetic acid)
CID 175769493
N-[4-(aminomethyl)phenyl]-3-fluoro-4-(1,2,3,6-tetrahydropyridin-4-yl)benzamide
CID 165118667
3-fluoro-4-(1,2,3,6-tetrahydropyridin-4-yl)-N-[4-(1,2,3,6-tetrahydropyridin-4-yl)-3-(trifluoromethoxy)phenyl]benzamide
CID 165118845
3-fluoro-4-(1,2,3,6-tetrahydropyridin-4-yl)-N-[6-(1,2,3,6-tetrahydropyridin-4-yl)-3-pyridinyl]benzamide
CID 165119006
N-[3-ethyl-4-[(E)-pent-2-en-3-yl]phenyl]-3-fluoro-4-(1,2,3,6-tetrahydropyridin-4-yl)benzamide
CID 165118474
3-methyl-N-(propan-2-yloxymethyl)-4-(1,2,3,6-tetrahydropyridin-4-yl)aniline
CID 167190508
2-carbamimidoyl-N-[4-(1-carbamimidoyl-3,6-dihydro-2H-pyridin-4-yl)-3-methylphenyl]-3,4-dihydro-1H-isoquinoline-7-carboxamide
CID 165117950
ethane;N-[3-ethyl-4-[(E)-pent-2-en-3-yl]phenyl]-3-fluoro-4-(1,2,3,6-tetrahydropyridin-4-yl)benzamide
CID 165118473

Frequently Asked Questions

What is the IUPAC name of N-[3-methyl-4-(1,2,3,6-tetrahydropyridin-4-yl)phenyl]-2,3-dihydro-1H-isoindole-5-carboxamide?
The IUPAC name of N-[3-methyl-4-(1,2,3,6-tetrahydropyridin-4-yl)phenyl]-2,3-dihydro-1H-isoindole-5-carboxamide (CID 165118046) is N-[3-methyl-4-(1,2,3,6-tetrahydropyridin-4-yl)phenyl]-2,3-dihydro-1H-isoindole-5-carboxamide.
What is the SMILES notation for N-[3-methyl-4-(1,2,3,6-tetrahydropyridin-4-yl)phenyl]-2,3-dihydro-1H-isoindole-5-carboxamide?
The canonical SMILES for N-[3-methyl-4-(1,2,3,6-tetrahydropyridin-4-yl)phenyl]-2,3-dihydro-1H-isoindole-5-carboxamide is Cc1cc(NC(=O)c2ccc3c(c2)CNC3)ccc1C1=CCNCC1.
What is the InChIKey of N-[3-methyl-4-(1,2,3,6-tetrahydropyridin-4-yl)phenyl]-2,3-dihydro-1H-isoindole-5-carboxamide?
The InChIKey is KZZUJULQUDBTAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O/c1-14-10-19(4-5-20(14)15-6-8-22-9-7-15)24-21(25)16-2-3-17-12-23-13-18(17)11-16/h2-6,10-11,22-23H,7-9,12-13H2,1H3,(H,24,25).
What are the key properties of N-[3-methyl-4-(1,2,3,6-tetrahydropyridin-4-yl)phenyl]-2,3-dihydro-1H-isoindole-5-carboxamide?
N-[3-methyl-4-(1,2,3,6-tetrahydropyridin-4-yl)phenyl]-2,3-dihydro-1H-isoindole-5-carboxamide has a molecular weight of 333.44 g/mol, XLogP of 3.23, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-methyl-4-(1,2,3,6-tetrahydropyridin-4-yl)phenyl]-2,3-dihydro-1H-isoindole-5-carboxamide is sourced from PubChem (CID 165118046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).