N-methyl-N-pyridin-3-yl-2,3-dihydro-1H-isoindole-5-carboxamide

C15H15N3O — CID 103998985

IUPACN-methyl-N-pyridin-3-yl-2,3-dihydro-1H-isoindole-5-carboxamide
SMILESCN(C(=O)c1ccc2c(c1)CNC2)c1cccnc1
InChIInChI=1S/C15H15N3O/c1-18(14-3-2-6-16-10-14)15(19)11-4-5-12-8-17-9-13(12)7-11/h2-7,10,17H,8-9H2,1H3
InChIKeyOSULILOTNFVUIP-UHFFFAOYSA-N
MW253.31 g/mol
LogP1.96
Rot. Bonds2

About N-methyl-N-pyridin-3-yl-2,3-dihydro-1H-isoindole-5-carboxamide

N-methyl-N-pyridin-3-yl-2,3-dihydro-1H-isoindole-5-carboxamide (PubChem CID 103998985) has the molecular formula C15H15N3O and a molecular weight of 253.31 g/mol. Its IUPAC name is N-methyl-N-pyridin-3-yl-2,3-dihydro-1H-isoindole-5-carboxamide.

Molecular Properties

Compound NameN-methyl-N-pyridin-3-yl-2,3-dihydro-1H-isoindole-5-carboxamide
PubChem CID103998985
Molecular FormulaC15H15N3O
Molecular Weight253.31 g/mol
Exact Mass253.12
IUPAC NameN-methyl-N-pyridin-3-yl-2,3-dihydro-1H-isoindole-5-carboxamide
SMILESCN(C(=O)c1ccc2c(c1)CNC2)c1cccnc1
InChIInChI=1S/C15H15N3O/c1-18(14-3-2-6-16-10-14)15(19)11-4-5-12-8-17-9-13(12)7-11/h2-7,10,17H,8-9H2,1H3
InChIKeyOSULILOTNFVUIP-UHFFFAOYSA-N
XLogP1.96
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-acetamido-N-methyl-N-pyridin-3-ylbenzamide
CID 59607027
N-methyl-N-(1-pyridin-4-ylethyl)-2,3-dihydro-1H-isoindole-5-carboxamide
CID 103998577
N-(1-pyridin-3-ylethyl)-2,3-dihydro-1H-isoindole-5-carboxamide
CID 103997950
2-[2,3-dihydro-1H-isoindole-5-carbonyl(methyl)amino]acetic acid
CID 112547658
N-methyl-4-nitro-N-pyridin-3-ylbenzamide
CID 59607131
N-methyl-N-phenylpyridine-3-carboxamide;hydrochloride
CID 110756365
3-(cyclopropanecarbonylamino)-N,4-dimethyl-N-pyridin-3-ylbenzamide
CID 59607052
6-methoxy-N-methyl-N-pyridin-3-ylpyridine-3-carboxamide
CID 59607054
4-(1,1,2,2,3,3,3-heptafluoropropyl)-N-methyl-N-pyridin-3-ylbenzamide
CID 59607199
N-ethyl-N-(3-hydroxyphenyl)-2,3-dihydro-1H-isoindole-5-carboxamide
CID 107735028
N-(1-hydroxy-2-methylpropan-2-yl)-N-methyl-2,3-dihydro-1H-isoindole-5-carboxamide
CID 113475632
4-(4,6-dimethylpyrimidin-2-yl)oxy-N-methyl-N-pyridin-3-ylbenzamide
CID 59607202

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-pyridin-3-yl-2,3-dihydro-1H-isoindole-5-carboxamide?
The IUPAC name of N-methyl-N-pyridin-3-yl-2,3-dihydro-1H-isoindole-5-carboxamide (CID 103998985) is N-methyl-N-pyridin-3-yl-2,3-dihydro-1H-isoindole-5-carboxamide.
What is the SMILES notation for N-methyl-N-pyridin-3-yl-2,3-dihydro-1H-isoindole-5-carboxamide?
The canonical SMILES for N-methyl-N-pyridin-3-yl-2,3-dihydro-1H-isoindole-5-carboxamide is CN(C(=O)c1ccc2c(c1)CNC2)c1cccnc1.
What is the InChIKey of N-methyl-N-pyridin-3-yl-2,3-dihydro-1H-isoindole-5-carboxamide?
The InChIKey is OSULILOTNFVUIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O/c1-18(14-3-2-6-16-10-14)15(19)11-4-5-12-8-17-9-13(12)7-11/h2-7,10,17H,8-9H2,1H3.
What are the key properties of N-methyl-N-pyridin-3-yl-2,3-dihydro-1H-isoindole-5-carboxamide?
N-methyl-N-pyridin-3-yl-2,3-dihydro-1H-isoindole-5-carboxamide has a molecular weight of 253.31 g/mol, XLogP of 1.96, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-pyridin-3-yl-2,3-dihydro-1H-isoindole-5-carboxamide is sourced from PubChem (CID 103998985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).