N-[1-(1-methylindole-3-carbonyl)pyrrolidin-2-yl]formamide

C15H17N3O2 — CID 174675554

IUPACN-[1-(1-methylindole-3-carbonyl)pyrrolidin-2-yl]formamide
SMILESCn1cc(C(=O)N2CCCC2NC=O)c2ccccc21
InChIInChI=1S/C15H17N3O2/c1-17-9-12(11-5-2-3-6-13(11)17)15(20)18-8-4-7-14(18)16-10-19/h2-3,5-6,9-10,14H,4,7-8H2,1H3,(H,16,19)
InChIKeyVCRTVJAQERYWMC-UHFFFAOYSA-N
MW271.32 g/mol
LogP1.49
Rot. Bonds3

About N-[1-(1-methylindole-3-carbonyl)pyrrolidin-2-yl]formamide

N-[1-(1-methylindole-3-carbonyl)pyrrolidin-2-yl]formamide (PubChem CID 174675554) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is N-[1-(1-methylindole-3-carbonyl)pyrrolidin-2-yl]formamide.

Molecular Properties

Compound NameN-[1-(1-methylindole-3-carbonyl)pyrrolidin-2-yl]formamide
PubChem CID174675554
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC NameN-[1-(1-methylindole-3-carbonyl)pyrrolidin-2-yl]formamide
SMILESCn1cc(C(=O)N2CCCC2NC=O)c2ccccc21
InChIInChI=1S/C15H17N3O2/c1-17-9-12(11-5-2-3-6-13(11)17)15(20)18-8-4-7-14(18)16-10-19/h2-3,5-6,9-10,14H,4,7-8H2,1H3,(H,16,19)
InChIKeyVCRTVJAQERYWMC-UHFFFAOYSA-N
XLogP1.49
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze N-[1-(1-methylindole-3-carbonyl)pyrrolidin-2-yl]formamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

azetidin-1-yl-(1-methylindol-3-yl)methanone
CID 17458441
(1-methylindol-3-yl)-pyrrolidin-1-ylmethanone
CID 4207786
6-[(2S)-1-(1-methylindole-3-carbonyl)pyrrolidin-2-yl]-1H-pyrimidin-2-one
CID 124990766
4-(1-methylindole-3-carbonyl)piperazine-1-carbaldehyde
CID 110762463
N-cyclopentyl-1-methylindole-3-carboxamide
CID 9209194
2-cyclopentyl-N-[1-(1-methylindole-3-carbonyl)piperidin-4-yl]acetamide
CID 126792582
(1-methylindol-3-yl)-[(2S)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone
CID 96580779
[(4aS,8aR)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-(1-methylindol-3-yl)methanone
CID 9225632
(3,4-dihydroxypyrrolidin-1-yl)-(1-methylindol-3-yl)methanone
CID 106671237
1-[4-(1-methylindole-3-carbonyl)-1,4-diazepan-1-yl]ethanone
CID 110805536
[(4aR,10bS)-10-methoxy-2,3,4a,5,6,10b-hexahydro-1H-benzo[f]quinolin-4-yl]-(1-methylindol-3-yl)methanone
CID 52933842
2-cyclohexyl-1-(1-methylindol-3-yl)ethanone
CID 43161950

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-methylindole-3-carbonyl)pyrrolidin-2-yl]formamide?
The IUPAC name of N-[1-(1-methylindole-3-carbonyl)pyrrolidin-2-yl]formamide (CID 174675554) is N-[1-(1-methylindole-3-carbonyl)pyrrolidin-2-yl]formamide.
What is the SMILES notation for N-[1-(1-methylindole-3-carbonyl)pyrrolidin-2-yl]formamide?
The canonical SMILES for N-[1-(1-methylindole-3-carbonyl)pyrrolidin-2-yl]formamide is Cn1cc(C(=O)N2CCCC2NC=O)c2ccccc21.
What is the InChIKey of N-[1-(1-methylindole-3-carbonyl)pyrrolidin-2-yl]formamide?
The InChIKey is VCRTVJAQERYWMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2/c1-17-9-12(11-5-2-3-6-13(11)17)15(20)18-8-4-7-14(18)16-10-19/h2-3,5-6,9-10,14H,4,7-8H2,1H3,(H,16,19).
What are the key properties of N-[1-(1-methylindole-3-carbonyl)pyrrolidin-2-yl]formamide?
N-[1-(1-methylindole-3-carbonyl)pyrrolidin-2-yl]formamide has a molecular weight of 271.32 g/mol, XLogP of 1.49, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-methylindole-3-carbonyl)pyrrolidin-2-yl]formamide is sourced from PubChem (CID 174675554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).