2-[(2R)-2-methylpyrrolidin-2-yl]-1H-indole-4-carboxamide

C14H17N3O — CID 139314904

IUPAC2-[(2R)-2-methylpyrrolidin-2-yl]-1H-indole-4-carboxamide
SMILESC[C@]1(c2cc3c(C(N)=O)cccc3[nH]2)CCCN1
InChIInChI=1S/C14H17N3O/c1-14(6-3-7-16-14)12-8-10-9(13(15)18)4-2-5-11(10)17-12/h2,4-5,8,16-17H,3,6-7H2,1H3,(H2,15,18)/t14-/m1/s1
InChIKeyNJRBFXKHOVYWOU-CQSZACIVSA-N
MW243.31 g/mol
LogP1.87
Rot. Bonds2

About 2-[(2R)-2-methylpyrrolidin-2-yl]-1H-indole-4-carboxamide

2-[(2R)-2-methylpyrrolidin-2-yl]-1H-indole-4-carboxamide (PubChem CID 139314904) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is 2-[(2R)-2-methylpyrrolidin-2-yl]-1H-indole-4-carboxamide.

Molecular Properties

Compound Name2-[(2R)-2-methylpyrrolidin-2-yl]-1H-indole-4-carboxamide
PubChem CID139314904
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name2-[(2R)-2-methylpyrrolidin-2-yl]-1H-indole-4-carboxamide
SMILESC[C@]1(c2cc3c(C(N)=O)cccc3[nH]2)CCCN1
InChIInChI=1S/C14H17N3O/c1-14(6-3-7-16-14)12-8-10-9(13(15)18)4-2-5-11(10)17-12/h2,4-5,8,16-17H,3,6-7H2,1H3,(H2,15,18)/t14-/m1/s1
InChIKeyNJRBFXKHOVYWOU-CQSZACIVSA-N
XLogP1.87
TPSA70.91 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 51.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-2-methylpyrrolidin-2-yl]-1H-indole-4-carboxamide?
The IUPAC name of 2-[(2R)-2-methylpyrrolidin-2-yl]-1H-indole-4-carboxamide (CID 139314904) is 2-[(2R)-2-methylpyrrolidin-2-yl]-1H-indole-4-carboxamide.
What is the SMILES notation for 2-[(2R)-2-methylpyrrolidin-2-yl]-1H-indole-4-carboxamide?
The canonical SMILES for 2-[(2R)-2-methylpyrrolidin-2-yl]-1H-indole-4-carboxamide is C[C@]1(c2cc3c(C(N)=O)cccc3[nH]2)CCCN1.
What is the InChIKey of 2-[(2R)-2-methylpyrrolidin-2-yl]-1H-indole-4-carboxamide?
The InChIKey is NJRBFXKHOVYWOU-CQSZACIVSA-N. The full InChI is InChI=1S/C14H17N3O/c1-14(6-3-7-16-14)12-8-10-9(13(15)18)4-2-5-11(10)17-12/h2,4-5,8,16-17H,3,6-7H2,1H3,(H2,15,18)/t14-/m1/s1.
What are the key properties of 2-[(2R)-2-methylpyrrolidin-2-yl]-1H-indole-4-carboxamide?
2-[(2R)-2-methylpyrrolidin-2-yl]-1H-indole-4-carboxamide has a molecular weight of 243.31 g/mol, XLogP of 1.87, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-2-methylpyrrolidin-2-yl]-1H-indole-4-carboxamide is sourced from PubChem (CID 139314904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).