1-(2-methylpropyl)-N-(2-pyrrolidin-1-yl-3-pyridinyl)indole-3-carboxamide

C22H26N4O — CID 55961998

IUPAC1-(2-methylpropyl)-N-(2-pyrrolidin-1-yl-3-pyridinyl)indole-3-carboxamide
SMILESCC(C)Cn1cc(C(=O)Nc2cccnc2N2CCCC2)c2ccccc21
InChIInChI=1S/C22H26N4O/c1-16(2)14-26-15-18(17-8-3-4-10-20(17)26)22(27)24-19-9-7-11-23-21(19)25-12-5-6-13-25/h3-4,7-11,15-16H,5-6,12-14H2,1-2H3,(H,24,27)
InChIKeyTWCMXLICQGOGIF-UHFFFAOYSA-N
MW362.48 g/mol
LogP4.54
Rot. Bonds5

About 1-(2-methylpropyl)-N-(2-pyrrolidin-1-yl-3-pyridinyl)indole-3-carboxamide

1-(2-methylpropyl)-N-(2-pyrrolidin-1-yl-3-pyridinyl)indole-3-carboxamide (PubChem CID 55961998) has the molecular formula C22H26N4O and a molecular weight of 362.48 g/mol. Its IUPAC name is 1-(2-methylpropyl)-N-(2-pyrrolidin-1-yl-3-pyridinyl)indole-3-carboxamide.

Molecular Properties

Compound Name1-(2-methylpropyl)-N-(2-pyrrolidin-1-yl-3-pyridinyl)indole-3-carboxamide
PubChem CID55961998
Molecular FormulaC22H26N4O
Molecular Weight362.48 g/mol
Exact Mass362.21
IUPAC Name1-(2-methylpropyl)-N-(2-pyrrolidin-1-yl-3-pyridinyl)indole-3-carboxamide
SMILESCC(C)Cn1cc(C(=O)Nc2cccnc2N2CCCC2)c2ccccc21
InChIInChI=1S/C22H26N4O/c1-16(2)14-26-15-18(17-8-3-4-10-20(17)26)22(27)24-19-9-7-11-23-21(19)25-12-5-6-13-25/h3-4,7-11,15-16H,5-6,12-14H2,1-2H3,(H,24,27)
InChIKeyTWCMXLICQGOGIF-UHFFFAOYSA-N
XLogP4.54
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.48
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(dimethylcarbamoyl)phenyl]-1-(2-methylpropyl)indole-3-carboxamide
CID 87036364
2-iodo-N-(2-pyrrolidin-1-yl-3-pyridinyl)benzamide
CID 60788894
N-(1-hydroxypropan-2-yl)-1-(2-methylpropyl)indole-3-carboxamide
CID 110900843
4-hydroxy-N-(2-pyrrolidin-1-yl-3-pyridinyl)pentanamide
CID 79200601
5-methyl-N-(2-pyrrolidin-1-yl-3-pyridinyl)-1H-pyrazole-4-carboxamide
CID 63998437
2-methoxy-N-(2-pyrrolidin-1-yl-3-pyridinyl)propanamide
CID 47308006
1-methyl-N-(2-pyrrolidin-1-ylphenyl)indole-3-carboxamide
CID 35358555
6-(4-methylphenyl)-1-propan-2-yl-N-(2-pyrrolidin-1-yl-3-pyridinyl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 55780060
(2R)-2-amino-3-methyl-N-(2-pyrrolidin-1-yl-3-pyridinyl)butanamide
CID 79011469
2-(azepan-1-yl)-N-(2-chlorophenyl)pyridine-3-carboxamide
CID 84576263
4-amino-2-methyl-N-(2-piperidin-1-yl-3-pyridinyl)pyrimidine-5-carboxamide
CID 167907212
N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]-1-(2-methylpropyl)indole-3-carboxamide
CID 56523326

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpropyl)-N-(2-pyrrolidin-1-yl-3-pyridinyl)indole-3-carboxamide?
The IUPAC name of 1-(2-methylpropyl)-N-(2-pyrrolidin-1-yl-3-pyridinyl)indole-3-carboxamide (CID 55961998) is 1-(2-methylpropyl)-N-(2-pyrrolidin-1-yl-3-pyridinyl)indole-3-carboxamide.
What is the SMILES notation for 1-(2-methylpropyl)-N-(2-pyrrolidin-1-yl-3-pyridinyl)indole-3-carboxamide?
The canonical SMILES for 1-(2-methylpropyl)-N-(2-pyrrolidin-1-yl-3-pyridinyl)indole-3-carboxamide is CC(C)Cn1cc(C(=O)Nc2cccnc2N2CCCC2)c2ccccc21.
What is the InChIKey of 1-(2-methylpropyl)-N-(2-pyrrolidin-1-yl-3-pyridinyl)indole-3-carboxamide?
The InChIKey is TWCMXLICQGOGIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O/c1-16(2)14-26-15-18(17-8-3-4-10-20(17)26)22(27)24-19-9-7-11-23-21(19)25-12-5-6-13-25/h3-4,7-11,15-16H,5-6,12-14H2,1-2H3,(H,24,27).
What are the key properties of 1-(2-methylpropyl)-N-(2-pyrrolidin-1-yl-3-pyridinyl)indole-3-carboxamide?
1-(2-methylpropyl)-N-(2-pyrrolidin-1-yl-3-pyridinyl)indole-3-carboxamide has a molecular weight of 362.48 g/mol, XLogP of 4.54, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpropyl)-N-(2-pyrrolidin-1-yl-3-pyridinyl)indole-3-carboxamide is sourced from PubChem (CID 55961998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).