N-[5-[1-(2-hydroxy-2-methylpropanoyl)-3,6-dihydro-2H-pyridin-4-yl]-2-pyridinyl]-1,3-dihydroisoindole-2-carboxamide

C23H26N4O3 — CID 68753181

IUPACN-[5-[1-(2-hydroxy-2-methylpropanoyl)-3,6-dihydro-2H-pyridin-4-yl]-2-pyridinyl]-1,3-dihydroisoindole-2-carboxamide
SMILESCC(C)(O)C(=O)N1CC=C(c2ccc(NC(=O)N3Cc4ccccc4C3)nc2)CC1
InChIInChI=1S/C23H26N4O3/c1-23(2,30)21(28)26-11-9-16(10-12-26)17-7-8-20(24-13-17)25-22(29)27-14-18-5-3-4-6-19(18)15-27/h3-9,13,30H,10-12,14-15H2,1-2H3,(H,24,25,29)
InChIKeySCEVLRIOZKBKPO-UHFFFAOYSA-N
MW406.49 g/mol
LogP3.02
Rot. Bonds3

About N-[5-[1-(2-hydroxy-2-methylpropanoyl)-3,6-dihydro-2H-pyridin-4-yl]-2-pyridinyl]-1,3-dihydroisoindole-2-carboxamide

N-[5-[1-(2-hydroxy-2-methylpropanoyl)-3,6-dihydro-2H-pyridin-4-yl]-2-pyridinyl]-1,3-dihydroisoindole-2-carboxamide (PubChem CID 68753181) has the molecular formula C23H26N4O3 and a molecular weight of 406.49 g/mol. Its IUPAC name is N-[5-[1-(2-hydroxy-2-methylpropanoyl)-3,6-dihydro-2H-pyridin-4-yl]-2-pyridinyl]-1,3-dihydroisoindole-2-carboxamide.

Molecular Properties

Compound NameN-[5-[1-(2-hydroxy-2-methylpropanoyl)-3,6-dihydro-2H-pyridin-4-yl]-2-pyridinyl]-1,3-dihydroisoindole-2-carboxamide
PubChem CID68753181
Molecular FormulaC23H26N4O3
Molecular Weight406.49 g/mol
Exact Mass406.20
IUPAC NameN-[5-[1-(2-hydroxy-2-methylpropanoyl)-3,6-dihydro-2H-pyridin-4-yl]-2-pyridinyl]-1,3-dihydroisoindole-2-carboxamide
SMILESCC(C)(O)C(=O)N1CC=C(c2ccc(NC(=O)N3Cc4ccccc4C3)nc2)CC1
InChIInChI=1S/C23H26N4O3/c1-23(2,30)21(28)26-11-9-16(10-12-26)17-7-8-20(24-13-17)25-22(29)27-14-18-5-3-4-6-19(18)15-27/h3-9,13,30H,10-12,14-15H2,1-2H3,(H,24,25,29)
InChIKeySCEVLRIOZKBKPO-UHFFFAOYSA-N
XLogP3.02
TPSA85.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.49
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4,5,6-trifluoro-N-[2-fluoro-4-[1-(2-hydroxy-2-methylpropanoyl)-3,6-dihydro-2H-pyridin-4-yl]phenyl]-1,3-dihydroisoindole-2-carboxamide
CID 176960644
tert-butyl 4-[4-(1,3-dihydropyrrolo[3,4-c]pyridine-2-carbonylamino)phenyl]-3,6-dihydro-2H-pyridine-1-carboxylate
CID 68751289
N-[4-[1-(2-acetamido-2-methylpropanoyl)-3,6-dihydro-2H-pyridin-4-yl]phenyl]-4-fluoro-1,3-dihydroisoindole-2-carboxamide
CID 176960344
5-fluoro-N-[4-[1-[2-[(2-hydroxy-2-methylpropyl)-methylamino]-2-oxoacetyl]-3,6-dihydro-2H-pyridin-4-yl]phenyl]-1,3-dihydroisoindole-2-carboxamide
CID 176960401
methyl 5-[1-[(2-methylpropan-2-yl)oxycarbonyl]-3,6-dihydro-2H-pyridin-4-yl]pyridine-2-carboxylate
CID 67125893
N-[4-[2-(2-hydroxy-2-methylpropanoyl)-1,2,3,6-tetrahydropyridin-4-yl]phenyl]-1,3-dihydroisoindole-2-carboxamide
CID 123692425
4-[4-(3,4-dihydro-1H-isoquinolin-2-yl)phenyl]-N-methyl-3,6-dihydro-2H-pyridine-1-carboxamide
CID 154463116
tert-butyl 4-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-3,6-dihydro-2H-pyridine-1-carboxylate
CID 142740284
N-(2-tert-butylphenyl)-4-(4-fluorophenyl)-3,6-dihydro-2H-pyridine-1-carboxamide
CID 3780951
N-[6-(1-benzoyl-3,6-dihydro-2H-pyridin-4-yl)-3-pyridinyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide
CID 68749119
tert-butyl 4-(6-methoxy-3-pyridinyl)-3,6-dihydro-2H-pyridine-1-carboxylate
CID 154620521
N-[4-[1-(dimethylaminosulfanylcarbamoyl)-3,6-dihydro-2H-pyridin-4-yl]phenyl]-5-fluoro-1,3-dihydroisoindole-2-carboxamide
CID 176961080

Frequently Asked Questions

What is the IUPAC name of N-[5-[1-(2-hydroxy-2-methylpropanoyl)-3,6-dihydro-2H-pyridin-4-yl]-2-pyridinyl]-1,3-dihydroisoindole-2-carboxamide?
The IUPAC name of N-[5-[1-(2-hydroxy-2-methylpropanoyl)-3,6-dihydro-2H-pyridin-4-yl]-2-pyridinyl]-1,3-dihydroisoindole-2-carboxamide (CID 68753181) is N-[5-[1-(2-hydroxy-2-methylpropanoyl)-3,6-dihydro-2H-pyridin-4-yl]-2-pyridinyl]-1,3-dihydroisoindole-2-carboxamide.
What is the SMILES notation for N-[5-[1-(2-hydroxy-2-methylpropanoyl)-3,6-dihydro-2H-pyridin-4-yl]-2-pyridinyl]-1,3-dihydroisoindole-2-carboxamide?
The canonical SMILES for N-[5-[1-(2-hydroxy-2-methylpropanoyl)-3,6-dihydro-2H-pyridin-4-yl]-2-pyridinyl]-1,3-dihydroisoindole-2-carboxamide is CC(C)(O)C(=O)N1CC=C(c2ccc(NC(=O)N3Cc4ccccc4C3)nc2)CC1.
What is the InChIKey of N-[5-[1-(2-hydroxy-2-methylpropanoyl)-3,6-dihydro-2H-pyridin-4-yl]-2-pyridinyl]-1,3-dihydroisoindole-2-carboxamide?
The InChIKey is SCEVLRIOZKBKPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O3/c1-23(2,30)21(28)26-11-9-16(10-12-26)17-7-8-20(24-13-17)25-22(29)27-14-18-5-3-4-6-19(18)15-27/h3-9,13,30H,10-12,14-15H2,1-2H3,(H,24,25,29).
What are the key properties of N-[5-[1-(2-hydroxy-2-methylpropanoyl)-3,6-dihydro-2H-pyridin-4-yl]-2-pyridinyl]-1,3-dihydroisoindole-2-carboxamide?
N-[5-[1-(2-hydroxy-2-methylpropanoyl)-3,6-dihydro-2H-pyridin-4-yl]-2-pyridinyl]-1,3-dihydroisoindole-2-carboxamide has a molecular weight of 406.49 g/mol, XLogP of 3.02, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[1-(2-hydroxy-2-methylpropanoyl)-3,6-dihydro-2H-pyridin-4-yl]-2-pyridinyl]-1,3-dihydroisoindole-2-carboxamide is sourced from PubChem (CID 68753181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).