N-(1-cyclopropyl-4-methylpyrrolidin-3-yl)-5-methoxy-1,3-dihydroisoindole-2-carboxamide

C18H25N3O2 — CID 138004668

IUPACN-(1-cyclopropyl-4-methylpyrrolidin-3-yl)-5-methoxy-1,3-dihydroisoindole-2-carboxamide
SMILESCOc1ccc2c(c1)CN(C(=O)NC1CN(C3CC3)CC1C)C2
InChIInChI=1S/C18H25N3O2/c1-12-8-20(15-4-5-15)11-17(12)19-18(22)21-9-13-3-6-16(23-2)7-14(13)10-21/h3,6-7,12,15,17H,4-5,8-11H2,1-2H3,(H,19,22)
InChIKeyUJFCBPKATCXDRF-UHFFFAOYSA-N
MW315.42 g/mol
LogP2.20
Rot. Bonds3

About N-(1-cyclopropyl-4-methylpyrrolidin-3-yl)-5-methoxy-1,3-dihydroisoindole-2-carboxamide

N-(1-cyclopropyl-4-methylpyrrolidin-3-yl)-5-methoxy-1,3-dihydroisoindole-2-carboxamide (PubChem CID 138004668) has the molecular formula C18H25N3O2 and a molecular weight of 315.42 g/mol. Its IUPAC name is N-(1-cyclopropyl-4-methylpyrrolidin-3-yl)-5-methoxy-1,3-dihydroisoindole-2-carboxamide.

Molecular Properties

Compound NameN-(1-cyclopropyl-4-methylpyrrolidin-3-yl)-5-methoxy-1,3-dihydroisoindole-2-carboxamide
PubChem CID138004668
Molecular FormulaC18H25N3O2
Molecular Weight315.42 g/mol
Exact Mass315.19
IUPAC NameN-(1-cyclopropyl-4-methylpyrrolidin-3-yl)-5-methoxy-1,3-dihydroisoindole-2-carboxamide
SMILESCOc1ccc2c(c1)CN(C(=O)NC1CN(C3CC3)CC1C)C2
InChIInChI=1S/C18H25N3O2/c1-12-8-20(15-4-5-15)11-17(12)19-18(22)21-9-13-3-6-16(23-2)7-14(13)10-21/h3,6-7,12,15,17H,4-5,8-11H2,1-2H3,(H,19,22)
InChIKeyUJFCBPKATCXDRF-UHFFFAOYSA-N
XLogP2.20
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(1-ethylpiperidin-4-yl)piperidin-4-yl]-(5-methoxy-1,3-dihydroisoindol-2-yl)methanone
CID 167928129
2-[(2-methylcyclopropyl)carbamoyl]-1,3-dihydroisoindole-5-carboxylic acid
CID 103999798
N-[(3S)-1,1-dioxothiolan-3-yl]-7-methoxy-1,3,4,5-tetrahydro-2-benzazepine-2-carboxamide
CID 95335063
2,2,2-trifluoro-1-(5-methoxy-1,3-dihydroisoindol-2-yl)ethanone
CID 170005081
(3,5-dimethoxyphenyl)-(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 110726076
2-(7-methoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)cyclobutane-1-carboxylic acid
CID 120975551
(1-cyclohexyl-5-methylpyrazol-4-yl)-(5-methoxy-1,3-dihydroisoindol-2-yl)methanone
CID 166241214
N-(4,4-difluorooxolan-3-yl)-7-methoxy-1,3,4,5-tetrahydro-2-benzazepine-2-carboxamide
CID 167859157
6-methoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl fluoride
CID 172635030
N-[2-(dimethylamino)-2-(4-hydroxyphenyl)ethyl]-5-methoxy-1,3-dihydroisoindole-2-carboxamide
CID 155163746
2-(7-methoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)cyclopropane-1-carboxylic acid
CID 119182591
N-[(3S,4R)-1-cyclopropyl-4-methylpyrrolidin-3-yl]-2-oxo-3H-1,3-benzoxazole-6-carboxamide
CID 153449137

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropyl-4-methylpyrrolidin-3-yl)-5-methoxy-1,3-dihydroisoindole-2-carboxamide?
The IUPAC name of N-(1-cyclopropyl-4-methylpyrrolidin-3-yl)-5-methoxy-1,3-dihydroisoindole-2-carboxamide (CID 138004668) is N-(1-cyclopropyl-4-methylpyrrolidin-3-yl)-5-methoxy-1,3-dihydroisoindole-2-carboxamide.
What is the SMILES notation for N-(1-cyclopropyl-4-methylpyrrolidin-3-yl)-5-methoxy-1,3-dihydroisoindole-2-carboxamide?
The canonical SMILES for N-(1-cyclopropyl-4-methylpyrrolidin-3-yl)-5-methoxy-1,3-dihydroisoindole-2-carboxamide is COc1ccc2c(c1)CN(C(=O)NC1CN(C3CC3)CC1C)C2.
What is the InChIKey of N-(1-cyclopropyl-4-methylpyrrolidin-3-yl)-5-methoxy-1,3-dihydroisoindole-2-carboxamide?
The InChIKey is UJFCBPKATCXDRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O2/c1-12-8-20(15-4-5-15)11-17(12)19-18(22)21-9-13-3-6-16(23-2)7-14(13)10-21/h3,6-7,12,15,17H,4-5,8-11H2,1-2H3,(H,19,22).
What are the key properties of N-(1-cyclopropyl-4-methylpyrrolidin-3-yl)-5-methoxy-1,3-dihydroisoindole-2-carboxamide?
N-(1-cyclopropyl-4-methylpyrrolidin-3-yl)-5-methoxy-1,3-dihydroisoindole-2-carboxamide has a molecular weight of 315.42 g/mol, XLogP of 2.20, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopropyl-4-methylpyrrolidin-3-yl)-5-methoxy-1,3-dihydroisoindole-2-carboxamide is sourced from PubChem (CID 138004668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).