(3S,4S)-4-methyl-1-[1-(2-methylpropyl)indole-4-carbonyl]pyrrolidine-3-carboxamide

C19H25N3O2 — CID 128988818

IUPAC(3S,4S)-4-methyl-1-[1-(2-methylpropyl)indole-4-carbonyl]pyrrolidine-3-carboxamide
SMILESCC(C)Cn1ccc2c(C(=O)N3C[C@@H](C)[C@H](C(N)=O)C3)cccc21
InChIInChI=1S/C19H25N3O2/c1-12(2)9-21-8-7-14-15(5-4-6-17(14)21)19(24)22-10-13(3)16(11-22)18(20)23/h4-8,12-13,16H,9-11H2,1-3H3,(H2,20,23)/t13-,16-/m1/s1
InChIKeyQJERUNPVCVIFCM-CZUORRHYSA-N
MW327.43 g/mol
LogP2.49
Rot. Bonds4

About (3S,4S)-4-methyl-1-[1-(2-methylpropyl)indole-4-carbonyl]pyrrolidine-3-carboxamide

(3S,4S)-4-methyl-1-[1-(2-methylpropyl)indole-4-carbonyl]pyrrolidine-3-carboxamide (PubChem CID 128988818) has the molecular formula C19H25N3O2 and a molecular weight of 327.43 g/mol. Its IUPAC name is (3S,4S)-4-methyl-1-[1-(2-methylpropyl)indole-4-carbonyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S,4S)-4-methyl-1-[1-(2-methylpropyl)indole-4-carbonyl]pyrrolidine-3-carboxamide
PubChem CID128988818
Molecular FormulaC19H25N3O2
Molecular Weight327.43 g/mol
Exact Mass327.19
IUPAC Name(3S,4S)-4-methyl-1-[1-(2-methylpropyl)indole-4-carbonyl]pyrrolidine-3-carboxamide
SMILESCC(C)Cn1ccc2c(C(=O)N3C[C@@H](C)[C@H](C(N)=O)C3)cccc21
InChIInChI=1S/C19H25N3O2/c1-12(2)9-21-8-7-14-15(5-4-6-17(14)21)19(24)22-10-13(3)16(11-22)18(20)23/h4-8,12-13,16H,9-11H2,1-3H3,(H2,20,23)/t13-,16-/m1/s1
InChIKeyQJERUNPVCVIFCM-CZUORRHYSA-N
XLogP2.49
TPSA68.33 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 ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(2-methylpropyl)indole-4-carbonyl]azetidine-3-carboxamide
CID 136556715
(3S,4S)-1-(3-chloro-2-fluorobenzoyl)-4-methylpyrrolidine-3-carboxamide
CID 128984224
(3S,4S)-4-methyl-1-[2-(trifluoromethoxy)benzoyl]pyrrolidine-3-carboxamide
CID 128988770
(3S,4S)-1-[4-methoxy-2-(3-methylbutoxy)benzoyl]-4-methylpyrrolidine-3-carboxamide
CID 128988778
(3S,4S)-1-[2-(2-amino-2-oxoethyl)sulfanylbenzoyl]-4-methylpyrrolidine-3-carboxylic acid
CID 120951941
1-(2-methylbutyl)indole-4-carboxylic acid
CID 62105505
(3-hydroxypiperidin-1-yl)-[1-(2-methylpropyl)indol-3-yl]methanone
CID 110900774
(3S,4S)-1-(2-chloro-4,5-dimethylbenzoyl)-4-methylpyrrolidine-3-carboxamide
CID 128984109
(3S,4S)-4-methyl-1-(1-methyl-5-pyrrol-1-ylpyrazole-4-carbonyl)pyrrolidine-3-carboxamide
CID 128988893
(3S,4S)-1-(3-methoxybenzoyl)-4-methylpyrrolidine-3-carboxamide
CID 122132864
3,3-dimethyl-N-[1-[1-(2-methylpropyl)indole-3-carbonyl]azetidin-3-yl]butanamide
CID 167972694
1-(4-formylbenzoyl)-4-methylpyrrolidine-3-carboxamide
CID 155260403

Frequently Asked Questions

What is the IUPAC name of (3S,4S)-4-methyl-1-[1-(2-methylpropyl)indole-4-carbonyl]pyrrolidine-3-carboxamide?
The IUPAC name of (3S,4S)-4-methyl-1-[1-(2-methylpropyl)indole-4-carbonyl]pyrrolidine-3-carboxamide (CID 128988818) is (3S,4S)-4-methyl-1-[1-(2-methylpropyl)indole-4-carbonyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for (3S,4S)-4-methyl-1-[1-(2-methylpropyl)indole-4-carbonyl]pyrrolidine-3-carboxamide?
The canonical SMILES for (3S,4S)-4-methyl-1-[1-(2-methylpropyl)indole-4-carbonyl]pyrrolidine-3-carboxamide is CC(C)Cn1ccc2c(C(=O)N3C[C@@H](C)[C@H](C(N)=O)C3)cccc21.
What is the InChIKey of (3S,4S)-4-methyl-1-[1-(2-methylpropyl)indole-4-carbonyl]pyrrolidine-3-carboxamide?
The InChIKey is QJERUNPVCVIFCM-CZUORRHYSA-N. The full InChI is InChI=1S/C19H25N3O2/c1-12(2)9-21-8-7-14-15(5-4-6-17(14)21)19(24)22-10-13(3)16(11-22)18(20)23/h4-8,12-13,16H,9-11H2,1-3H3,(H2,20,23)/t13-,16-/m1/s1.
What are the key properties of (3S,4S)-4-methyl-1-[1-(2-methylpropyl)indole-4-carbonyl]pyrrolidine-3-carboxamide?
(3S,4S)-4-methyl-1-[1-(2-methylpropyl)indole-4-carbonyl]pyrrolidine-3-carboxamide has a molecular weight of 327.43 g/mol, XLogP of 2.49, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-4-methyl-1-[1-(2-methylpropyl)indole-4-carbonyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 128988818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).