1-methyl-N-pyrrolidin-3-ylindole-4-carboxamide

C14H17N3O — CID 112530853

IUPAC1-methyl-N-pyrrolidin-3-ylindole-4-carboxamide
SMILESCn1ccc2c(C(=O)NC3CCNC3)cccc21
InChIInChI=1S/C14H17N3O/c1-17-8-6-11-12(3-2-4-13(11)17)14(18)16-10-5-7-15-9-10/h2-4,6,8,10,15H,5,7,9H2,1H3,(H,16,18)
InChIKeyVTFKHYZKJAGHNI-UHFFFAOYSA-N
MW243.31 g/mol
LogP1.27
Rot. Bonds2

About 1-methyl-N-pyrrolidin-3-ylindole-4-carboxamide

1-methyl-N-pyrrolidin-3-ylindole-4-carboxamide (PubChem CID 112530853) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is 1-methyl-N-pyrrolidin-3-ylindole-4-carboxamide.

Molecular Properties

Compound Name1-methyl-N-pyrrolidin-3-ylindole-4-carboxamide
PubChem CID112530853
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name1-methyl-N-pyrrolidin-3-ylindole-4-carboxamide
SMILESCn1ccc2c(C(=O)NC3CCNC3)cccc21
InChIInChI=1S/C14H17N3O/c1-17-8-6-11-12(3-2-4-13(11)17)14(18)16-10-5-7-15-9-10/h2-4,6,8,10,15H,5,7,9H2,1H3,(H,16,18)
InChIKeyVTFKHYZKJAGHNI-UHFFFAOYSA-N
XLogP1.27
TPSA46.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3S)-pyrrolidin-3-yl]naphthalene-1-carboxamide
CID 79689471
3-bromo-2-methyl-N-[(3S)-pyrrolidin-3-yl]benzamide
CID 79688434
3-bromo-2-methyl-N-[(3R)-pyrrolidin-3-yl]benzamide
CID 79689154
3-chloro-2-methyl-N-[(3S)-pyrrolidin-3-yl]benzamide
CID 107098265
2,3-dichloro-N-[(3S)-pyrrolidin-3-yl]benzamide
CID 79688100
1-methyl-2-oxo-N-piperidin-3-ylpyridine-3-carboxamide;hydrochloride
CID 119424588
2-methylsulfanyl-N-[(3R)-pyrrolidin-3-yl]benzamide
CID 79688478
N-piperidin-4-yl-2H-isoindole-4-carboxamide
CID 175803633
2-methylsulfonyl-N-pyrrolidin-3-ylbenzamide
CID 119450814
2-chloro-3-fluoro-N-[(3R)-pyrrolidin-3-yl]benzamide
CID 81461356
3-chloro-2-fluoro-N-[(3S)-pyrrolidin-3-yl]benzamide
CID 81265233
N-[(3R)-piperidin-3-yl]-1H-indole-4-carboxamide
CID 104645556

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-pyrrolidin-3-ylindole-4-carboxamide?
The IUPAC name of 1-methyl-N-pyrrolidin-3-ylindole-4-carboxamide (CID 112530853) is 1-methyl-N-pyrrolidin-3-ylindole-4-carboxamide.
What is the SMILES notation for 1-methyl-N-pyrrolidin-3-ylindole-4-carboxamide?
The canonical SMILES for 1-methyl-N-pyrrolidin-3-ylindole-4-carboxamide is Cn1ccc2c(C(=O)NC3CCNC3)cccc21.
What is the InChIKey of 1-methyl-N-pyrrolidin-3-ylindole-4-carboxamide?
The InChIKey is VTFKHYZKJAGHNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c1-17-8-6-11-12(3-2-4-13(11)17)14(18)16-10-5-7-15-9-10/h2-4,6,8,10,15H,5,7,9H2,1H3,(H,16,18).
What are the key properties of 1-methyl-N-pyrrolidin-3-ylindole-4-carboxamide?
1-methyl-N-pyrrolidin-3-ylindole-4-carboxamide has a molecular weight of 243.31 g/mol, XLogP of 1.27, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-pyrrolidin-3-ylindole-4-carboxamide is sourced from PubChem (CID 112530853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).