(2R)-1-(cyclopropanecarbonyl)-N-(1-ethyl-2,3-dihydroindol-6-yl)pyrrolidine-2-carboxamide

C19H25N3O2 — CID 95158104

IUPAC(2R)-1-(cyclopropanecarbonyl)-N-(1-ethyl-2,3-dihydroindol-6-yl)pyrrolidine-2-carboxamide
SMILESCCN1CCc2ccc(NC(=O)[C@H]3CCCN3C(=O)C3CC3)cc21
InChIInChI=1S/C19H25N3O2/c1-2-21-11-9-13-7-8-15(12-17(13)21)20-18(23)16-4-3-10-22(16)19(24)14-5-6-14/h7-8,12,14,16H,2-6,9-11H2,1H3,(H,20,23)/t16-/m1/s1
InChIKeyGORDNFKUYSVQHA-MRXNPFEDSA-N
MW327.43 g/mol
LogP2.41
Rot. Bonds4

About (2R)-1-(cyclopropanecarbonyl)-N-(1-ethyl-2,3-dihydroindol-6-yl)pyrrolidine-2-carboxamide

(2R)-1-(cyclopropanecarbonyl)-N-(1-ethyl-2,3-dihydroindol-6-yl)pyrrolidine-2-carboxamide (PubChem CID 95158104) has the molecular formula C19H25N3O2 and a molecular weight of 327.43 g/mol. Its IUPAC name is (2R)-1-(cyclopropanecarbonyl)-N-(1-ethyl-2,3-dihydroindol-6-yl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-1-(cyclopropanecarbonyl)-N-(1-ethyl-2,3-dihydroindol-6-yl)pyrrolidine-2-carboxamide
PubChem CID95158104
Molecular FormulaC19H25N3O2
Molecular Weight327.43 g/mol
Exact Mass327.19
IUPAC Name(2R)-1-(cyclopropanecarbonyl)-N-(1-ethyl-2,3-dihydroindol-6-yl)pyrrolidine-2-carboxamide
SMILESCCN1CCc2ccc(NC(=O)[C@H]3CCCN3C(=O)C3CC3)cc21
InChIInChI=1S/C19H25N3O2/c1-2-21-11-9-13-7-8-15(12-17(13)21)20-18(23)16-4-3-10-22(16)19(24)14-5-6-14/h7-8,12,14,16H,2-6,9-11H2,1H3,(H,20,23)/t16-/m1/s1
InChIKeyGORDNFKUYSVQHA-MRXNPFEDSA-N
XLogP2.41
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-(4-chlorophenyl)-1-(cyclopropanecarbonyl)pyrrolidine-2-carboxamide
CID 110286201
(2S)-N-[4-chloro-3-(ethylcarbamoyl)phenyl]-1-(cyclopropanecarbonyl)pyrrolidine-2-carboxamide
CID 131920868
(2S)-N-[5-(cyclopentanecarbonylamino)-2-methylphenyl]-1-(cyclopropanecarbonyl)pyrrolidine-2-carboxamide
CID 131898261
1-(cyclohexanecarbonyl)-N-[4-(ethylsulfonylamino)-3-methylphenyl]pyrrolidine-2-carboxamide
CID 55947181
1-(cyclohexanecarbonyl)-N-[4-methyl-3-(trifluoromethyl)phenyl]pyrrolidine-2-carboxamide
CID 55741414
N-(1-propanoyl-3,4-dihydro-2H-quinolin-7-yl)cyclopropanecarboxamide
CID 40829046
(2S)-1-(cyclopropanecarbonyl)-N-[4-(3-methoxyphenoxy)phenyl]pyrrolidine-2-carboxamide
CID 131909515
N-(4-anilinophenyl)-1-(cyclopentanecarbonyl)pyrrolidine-2-carboxamide
CID 166197699
ethyl 2-[[1-(cyclopropanecarbonyl)-2,3-dihydroindol-6-yl]amino]-2-oxoacetate
CID 112506230
1-(cyclopropanecarbonyl)-N-(3-fluoro-4-pyrazol-1-ylphenyl)pyrrolidine-2-carboxamide
CID 126769711
(2S)-1-acetyl-N-(4-methylphenyl)pyrrolidine-2-carboxamide
CID 784723
N-(3-bromophenyl)-1-(cyclohexanecarbonyl)pyrrolidine-2-carboxamide
CID 55741021

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(cyclopropanecarbonyl)-N-(1-ethyl-2,3-dihydroindol-6-yl)pyrrolidine-2-carboxamide?
The IUPAC name of (2R)-1-(cyclopropanecarbonyl)-N-(1-ethyl-2,3-dihydroindol-6-yl)pyrrolidine-2-carboxamide (CID 95158104) is (2R)-1-(cyclopropanecarbonyl)-N-(1-ethyl-2,3-dihydroindol-6-yl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-1-(cyclopropanecarbonyl)-N-(1-ethyl-2,3-dihydroindol-6-yl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-1-(cyclopropanecarbonyl)-N-(1-ethyl-2,3-dihydroindol-6-yl)pyrrolidine-2-carboxamide is CCN1CCc2ccc(NC(=O)[C@H]3CCCN3C(=O)C3CC3)cc21.
What is the InChIKey of (2R)-1-(cyclopropanecarbonyl)-N-(1-ethyl-2,3-dihydroindol-6-yl)pyrrolidine-2-carboxamide?
The InChIKey is GORDNFKUYSVQHA-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H25N3O2/c1-2-21-11-9-13-7-8-15(12-17(13)21)20-18(23)16-4-3-10-22(16)19(24)14-5-6-14/h7-8,12,14,16H,2-6,9-11H2,1H3,(H,20,23)/t16-/m1/s1.
What are the key properties of (2R)-1-(cyclopropanecarbonyl)-N-(1-ethyl-2,3-dihydroindol-6-yl)pyrrolidine-2-carboxamide?
(2R)-1-(cyclopropanecarbonyl)-N-(1-ethyl-2,3-dihydroindol-6-yl)pyrrolidine-2-carboxamide has a molecular weight of 327.43 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(cyclopropanecarbonyl)-N-(1-ethyl-2,3-dihydroindol-6-yl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 95158104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).