N-[[3-cyclopropyl-1-(1H-indole-2-carbonyl)pyrrolidin-2-yl]methyl]butanamide

C21H27N3O2 — CID 155964509

IUPACN-[[3-cyclopropyl-1-(1H-indole-2-carbonyl)pyrrolidin-2-yl]methyl]butanamide
SMILESCCCC(=O)NCC1C(C2CC2)CCN1C(=O)c1cc2ccccc2[nH]1
InChIInChI=1S/C21H27N3O2/c1-2-5-20(25)22-13-19-16(14-8-9-14)10-11-24(19)21(26)18-12-15-6-3-4-7-17(15)23-18/h3-4,6-7,12,14,16,19,23H,2,5,8-11,13H2,1H3,(H,22,25)
InChIKeyXPRZVKHWDALNTH-UHFFFAOYSA-N
MW353.47 g/mol
LogP3.32
Rot. Bonds6

About N-[[3-cyclopropyl-1-(1H-indole-2-carbonyl)pyrrolidin-2-yl]methyl]butanamide

N-[[3-cyclopropyl-1-(1H-indole-2-carbonyl)pyrrolidin-2-yl]methyl]butanamide (PubChem CID 155964509) has the molecular formula C21H27N3O2 and a molecular weight of 353.47 g/mol. Its IUPAC name is N-[[3-cyclopropyl-1-(1H-indole-2-carbonyl)pyrrolidin-2-yl]methyl]butanamide.

Molecular Properties

Compound NameN-[[3-cyclopropyl-1-(1H-indole-2-carbonyl)pyrrolidin-2-yl]methyl]butanamide
PubChem CID155964509
Molecular FormulaC21H27N3O2
Molecular Weight353.47 g/mol
Exact Mass353.21
IUPAC NameN-[[3-cyclopropyl-1-(1H-indole-2-carbonyl)pyrrolidin-2-yl]methyl]butanamide
SMILESCCCC(=O)NCC1C(C2CC2)CCN1C(=O)c1cc2ccccc2[nH]1
InChIInChI=1S/C21H27N3O2/c1-2-5-20(25)22-13-19-16(14-8-9-14)10-11-24(19)21(26)18-12-15-6-3-4-7-17(15)23-18/h3-4,6-7,12,14,16,19,23H,2,5,8-11,13H2,1H3,(H,22,25)
InChIKeyXPRZVKHWDALNTH-UHFFFAOYSA-N
XLogP3.32
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-[[3-cyclopropyl-1-(1H-indole-2-carbonyl)pyrrolidin-2-yl]methyl]butanamide with MolForge

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Related Compounds

1H-indol-2-yl-[4-(methylaminomethyl)piperidin-1-yl]methanone
CID 63250609
1H-indol-2-yl-(3-propylpyrrolidin-1-yl)methanone
CID 112695865
(2S)-N,N-diethyl-1-(1H-indole-2-carbonyl)pyrrolidine-2-carboxamide
CID 95196207
(2-bromopyrrolidin-1-yl)-(1H-indol-2-yl)methanone
CID 90014378
methyl (2S)-1-(1H-indole-2-carbonyl)piperidine-2-carboxylate
CID 93317948
N-butyl-2-[1-(1H-indole-2-carbonyl)piperidin-4-yl]propanamide
CID 50816867
N-[1-[[3-ethyl-1-(5-methoxy-1H-indole-2-carbonyl)pyrrolidin-2-yl]methylamino]-3,3-dimethyl-1-oxobutan-2-yl]-1H-indole-2-carboxamide
CID 91072065
1-(1H-indole-2-carbonyl)piperidine-2-carboxylic acid
CID 43187100
1H-indol-2-yl-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 56820473
2-[(3S)-4-(1H-indole-2-carbonyl)-3-methylpiperazin-1-yl]-2-oxoacetic acid
CID 155255124
3-cyclopropyl-N-[3,4-dioxo-1-(2-oxopyrrolidin-3-yl)-4-(propan-2-ylamino)butan-2-yl]-1-(1H-indole-2-carbonyl)pyrrolidine-2-carboxamide
CID 166936446
methyl 4-(1H-indole-2-carbonyl)morpholine-3-carboxylate
CID 115670212

Frequently Asked Questions

What is the IUPAC name of N-[[3-cyclopropyl-1-(1H-indole-2-carbonyl)pyrrolidin-2-yl]methyl]butanamide?
The IUPAC name of N-[[3-cyclopropyl-1-(1H-indole-2-carbonyl)pyrrolidin-2-yl]methyl]butanamide (CID 155964509) is N-[[3-cyclopropyl-1-(1H-indole-2-carbonyl)pyrrolidin-2-yl]methyl]butanamide.
What is the SMILES notation for N-[[3-cyclopropyl-1-(1H-indole-2-carbonyl)pyrrolidin-2-yl]methyl]butanamide?
The canonical SMILES for N-[[3-cyclopropyl-1-(1H-indole-2-carbonyl)pyrrolidin-2-yl]methyl]butanamide is CCCC(=O)NCC1C(C2CC2)CCN1C(=O)c1cc2ccccc2[nH]1.
What is the InChIKey of N-[[3-cyclopropyl-1-(1H-indole-2-carbonyl)pyrrolidin-2-yl]methyl]butanamide?
The InChIKey is XPRZVKHWDALNTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O2/c1-2-5-20(25)22-13-19-16(14-8-9-14)10-11-24(19)21(26)18-12-15-6-3-4-7-17(15)23-18/h3-4,6-7,12,14,16,19,23H,2,5,8-11,13H2,1H3,(H,22,25).
What are the key properties of N-[[3-cyclopropyl-1-(1H-indole-2-carbonyl)pyrrolidin-2-yl]methyl]butanamide?
N-[[3-cyclopropyl-1-(1H-indole-2-carbonyl)pyrrolidin-2-yl]methyl]butanamide has a molecular weight of 353.47 g/mol, XLogP of 3.32, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-cyclopropyl-1-(1H-indole-2-carbonyl)pyrrolidin-2-yl]methyl]butanamide is sourced from PubChem (CID 155964509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).