1-(1H-isoindol-5-yl)-N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]cyclopropane-1-carboxamide

C24H27N3O — CID 158003433

IUPAC1-(1H-isoindol-5-yl)-N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]cyclopropane-1-carboxamide
SMILESO=C(N[C@H](CN1CCCC1)c1ccccc1)C1(c2ccc3c(c2)C=NC3)CC1
InChIInChI=1S/C24H27N3O/c28-23(24(10-11-24)21-9-8-19-15-25-16-20(19)14-21)26-22(17-27-12-4-5-13-27)18-6-2-1-3-7-18/h1-3,6-9,14,16,22H,4-5,10-13,15,17H2,(H,26,28)/t22-/m1/s1
InChIKeyWOAZAWWZZJAXPE-JOCHJYFZSA-N
MW373.50 g/mol
LogP3.60
Rot. Bonds6

About 1-(1H-isoindol-5-yl)-N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]cyclopropane-1-carboxamide

1-(1H-isoindol-5-yl)-N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]cyclopropane-1-carboxamide (PubChem CID 158003433) has the molecular formula C24H27N3O and a molecular weight of 373.50 g/mol. Its IUPAC name is 1-(1H-isoindol-5-yl)-N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(1H-isoindol-5-yl)-N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]cyclopropane-1-carboxamide
PubChem CID158003433
Molecular FormulaC24H27N3O
Molecular Weight373.50 g/mol
Exact Mass373.22
IUPAC Name1-(1H-isoindol-5-yl)-N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]cyclopropane-1-carboxamide
SMILESO=C(N[C@H](CN1CCCC1)c1ccccc1)C1(c2ccc3c(c2)C=NC3)CC1
InChIInChI=1S/C24H27N3O/c28-23(24(10-11-24)21-9-8-19-15-25-16-20(19)14-21)26-22(17-27-12-4-5-13-27)18-6-2-1-3-7-18/h1-3,6-9,14,16,22H,4-5,10-13,15,17H2,(H,26,28)/t22-/m1/s1
InChIKeyWOAZAWWZZJAXPE-JOCHJYFZSA-N
XLogP3.60
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.50
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(6-oxo-5H-naphthalen-2-yl)-N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]cyclopropane-1-carboxamide;sulfane
CID 158830840
1-phenyl-N-(1-phenyl-2-pyrrolidin-1-ylethyl)cyclopropane-1-carboxamide
CID 66685345
1-phenyl-N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]cyclopropane-1-carboxamide;hydrochloride
CID 56648017
1-(3-hydroxyphenyl)-N-(1-phenyl-2-pyrrolidin-1-ylethyl)cyclopropane-1-carboxamide
CID 66684992
1-(3-methylphenyl)-N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]cyclopropane-1-carboxamide;hydrochloride
CID 66692493
1-phenyl-N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]cyclohexane-1-carboxamide
CID 66692251
1-[4-(methanesulfonamidomethyl)phenyl]-N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]cyclopropane-1-carboxamide
CID 56644810
1-(3-methylphenyl)-N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]cyclopropane-1-carboxamide;sulfane;hydrochloride
CID 157098147
1-(4-methoxyphenyl)-N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]cyclopropane-1-carboxamide
CID 56645217
1-(1-methylbenzotriazol-5-yl)-N-(1-phenyl-2-pyrrolidin-1-ylethyl)cyclopropane-1-carboxamide
CID 56646030
1-(3-methyl-2H-indazol-5-yl)-N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]cyclopropane-1-carboxamide
CID 56646634
N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]-1-pyridin-2-ylcyclopropane-1-carboxamide
CID 66692410

Frequently Asked Questions

What is the IUPAC name of 1-(1H-isoindol-5-yl)-N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]cyclopropane-1-carboxamide?
The IUPAC name of 1-(1H-isoindol-5-yl)-N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]cyclopropane-1-carboxamide (CID 158003433) is 1-(1H-isoindol-5-yl)-N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(1H-isoindol-5-yl)-N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-(1H-isoindol-5-yl)-N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]cyclopropane-1-carboxamide is O=C(N[C@H](CN1CCCC1)c1ccccc1)C1(c2ccc3c(c2)C=NC3)CC1.
What is the InChIKey of 1-(1H-isoindol-5-yl)-N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]cyclopropane-1-carboxamide?
The InChIKey is WOAZAWWZZJAXPE-JOCHJYFZSA-N. The full InChI is InChI=1S/C24H27N3O/c28-23(24(10-11-24)21-9-8-19-15-25-16-20(19)14-21)26-22(17-27-12-4-5-13-27)18-6-2-1-3-7-18/h1-3,6-9,14,16,22H,4-5,10-13,15,17H2,(H,26,28)/t22-/m1/s1.
What are the key properties of 1-(1H-isoindol-5-yl)-N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]cyclopropane-1-carboxamide?
1-(1H-isoindol-5-yl)-N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]cyclopropane-1-carboxamide has a molecular weight of 373.50 g/mol, XLogP of 3.60, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-isoindol-5-yl)-N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 158003433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).