(3S,4S)-1-(1H-indole-2-carbonyl)-4-(methoxymethyl)-N-methylpyrrolidine-3-carboxamide

C17H21N3O3 — CID 110203515

IUPAC(3S,4S)-1-(1H-indole-2-carbonyl)-4-(methoxymethyl)-N-methylpyrrolidine-3-carboxamide
SMILESCNC(=O)[C@@H]1CN(C(=O)c2cc3ccccc3[nH]2)C[C@H]1COC
InChIInChI=1S/C17H21N3O3/c1-18-16(21)13-9-20(8-12(13)10-23-2)17(22)15-7-11-5-3-4-6-14(11)19-15/h3-7,12-13,19H,8-10H2,1-2H3,(H,18,21)/t12-,13+/m0/s1
InChIKeyKPRYATSIINFLAP-QWHCGFSZSA-N
MW315.37 g/mol
LogP1.25
Rot. Bonds4

About (3S,4S)-1-(1H-indole-2-carbonyl)-4-(methoxymethyl)-N-methylpyrrolidine-3-carboxamide

(3S,4S)-1-(1H-indole-2-carbonyl)-4-(methoxymethyl)-N-methylpyrrolidine-3-carboxamide (PubChem CID 110203515) has the molecular formula C17H21N3O3 and a molecular weight of 315.37 g/mol. Its IUPAC name is (3S,4S)-1-(1H-indole-2-carbonyl)-4-(methoxymethyl)-N-methylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S,4S)-1-(1H-indole-2-carbonyl)-4-(methoxymethyl)-N-methylpyrrolidine-3-carboxamide
PubChem CID110203515
Molecular FormulaC17H21N3O3
Molecular Weight315.37 g/mol
Exact Mass315.16
IUPAC Name(3S,4S)-1-(1H-indole-2-carbonyl)-4-(methoxymethyl)-N-methylpyrrolidine-3-carboxamide
SMILESCNC(=O)[C@@H]1CN(C(=O)c2cc3ccccc3[nH]2)C[C@H]1COC
InChIInChI=1S/C17H21N3O3/c1-18-16(21)13-9-20(8-12(13)10-23-2)17(22)15-7-11-5-3-4-6-14(11)19-15/h3-7,12-13,19H,8-10H2,1-2H3,(H,18,21)/t12-,13+/m0/s1
InChIKeyKPRYATSIINFLAP-QWHCGFSZSA-N
XLogP1.25
TPSA74.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3S,4S)-1-[2-(1H-indol-3-yl)acetyl]-4-(methoxymethyl)-N-methylpyrrolidine-3-carboxamide
CID 110203597
(3S,4S)-1-(2,4-difluorobenzoyl)-4-(methoxymethyl)-N-methylpyrrolidine-3-carboxamide
CID 110203593
(3-aminoazetidin-1-yl)-(1H-indol-2-yl)methanone
CID 65244567
(3S,4S)-1-(3-fluoro-4-methoxybenzoyl)-4-(methoxymethyl)-N-methylpyrrolidine-3-carboxamide
CID 110203592
1H-indol-2-yl-[4-(methylaminomethyl)piperidin-1-yl]methanone
CID 63250609
4-(methoxymethyl)-N-methyl-1-(1,3-oxazole-4-carbonyl)pyrrolidine-3-carboxamide
CID 156610713
(2S,4R)-4-hydroxy-1-[1-(1H-indole-2-carbonyl)piperidin-4-yl]-N-methylpyrrolidine-2-carboxamide
CID 110197379
methyl 2-[[(3R)-1-(1H-indole-2-carbonyl)piperidine-3-carbonyl]amino]acetate
CID 42571173
(2-ethylthiomorpholin-4-yl)-(1H-indol-2-yl)methanone
CID 115661623
5-(1H-indole-2-carbonyl)-N-(2-methoxyethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-7-carboxamide
CID 131693001
[3-(hydroxymethyl)pyrrolidin-1-yl]-(1H-indol-2-yl)methanone
CID 62349587
1H-indol-2-yl-(3-propylpyrrolidin-1-yl)methanone
CID 112695865

Frequently Asked Questions

What is the IUPAC name of (3S,4S)-1-(1H-indole-2-carbonyl)-4-(methoxymethyl)-N-methylpyrrolidine-3-carboxamide?
The IUPAC name of (3S,4S)-1-(1H-indole-2-carbonyl)-4-(methoxymethyl)-N-methylpyrrolidine-3-carboxamide (CID 110203515) is (3S,4S)-1-(1H-indole-2-carbonyl)-4-(methoxymethyl)-N-methylpyrrolidine-3-carboxamide.
What is the SMILES notation for (3S,4S)-1-(1H-indole-2-carbonyl)-4-(methoxymethyl)-N-methylpyrrolidine-3-carboxamide?
The canonical SMILES for (3S,4S)-1-(1H-indole-2-carbonyl)-4-(methoxymethyl)-N-methylpyrrolidine-3-carboxamide is CNC(=O)[C@@H]1CN(C(=O)c2cc3ccccc3[nH]2)C[C@H]1COC.
What is the InChIKey of (3S,4S)-1-(1H-indole-2-carbonyl)-4-(methoxymethyl)-N-methylpyrrolidine-3-carboxamide?
The InChIKey is KPRYATSIINFLAP-QWHCGFSZSA-N. The full InChI is InChI=1S/C17H21N3O3/c1-18-16(21)13-9-20(8-12(13)10-23-2)17(22)15-7-11-5-3-4-6-14(11)19-15/h3-7,12-13,19H,8-10H2,1-2H3,(H,18,21)/t12-,13+/m0/s1.
What are the key properties of (3S,4S)-1-(1H-indole-2-carbonyl)-4-(methoxymethyl)-N-methylpyrrolidine-3-carboxamide?
(3S,4S)-1-(1H-indole-2-carbonyl)-4-(methoxymethyl)-N-methylpyrrolidine-3-carboxamide has a molecular weight of 315.37 g/mol, XLogP of 1.25, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-1-(1H-indole-2-carbonyl)-4-(methoxymethyl)-N-methylpyrrolidine-3-carboxamide is sourced from PubChem (CID 110203515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).