3-(2-methylpropanoyl)-2-propyl-1-(pyridin-2-ylmethyl)indole-6-carboxamide

C22H25N3O2 — CID 22627245

IUPAC3-(2-methylpropanoyl)-2-propyl-1-(pyridin-2-ylmethyl)indole-6-carboxamide
SMILESCCCc1c(C(=O)C(C)C)c2ccc(C(N)=O)cc2n1Cc1ccccn1
InChIInChI=1S/C22H25N3O2/c1-4-7-18-20(21(26)14(2)3)17-10-9-15(22(23)27)12-19(17)25(18)13-16-8-5-6-11-24-16/h5-6,8-12,14H,4,7,13H2,1-3H3,(H2,23,27)
InChIKeySPIJRCDZOKSVEH-UHFFFAOYSA-N
MW363.46 g/mol
LogP3.97
Rot. Bonds7

About 3-(2-methylpropanoyl)-2-propyl-1-(pyridin-2-ylmethyl)indole-6-carboxamide

3-(2-methylpropanoyl)-2-propyl-1-(pyridin-2-ylmethyl)indole-6-carboxamide (PubChem CID 22627245) has the molecular formula C22H25N3O2 and a molecular weight of 363.46 g/mol. Its IUPAC name is 3-(2-methylpropanoyl)-2-propyl-1-(pyridin-2-ylmethyl)indole-6-carboxamide.

Molecular Properties

Compound Name3-(2-methylpropanoyl)-2-propyl-1-(pyridin-2-ylmethyl)indole-6-carboxamide
PubChem CID22627245
Molecular FormulaC22H25N3O2
Molecular Weight363.46 g/mol
Exact Mass363.19
IUPAC Name3-(2-methylpropanoyl)-2-propyl-1-(pyridin-2-ylmethyl)indole-6-carboxamide
SMILESCCCc1c(C(=O)C(C)C)c2ccc(C(N)=O)cc2n1Cc1ccccn1
InChIInChI=1S/C22H25N3O2/c1-4-7-18-20(21(26)14(2)3)17-10-9-15(22(23)27)12-19(17)25(18)13-16-8-5-6-11-24-16/h5-6,8-12,14H,4,7,13H2,1-3H3,(H2,23,27)
InChIKeySPIJRCDZOKSVEH-UHFFFAOYSA-N
XLogP3.97
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-methylpropanoyl)-1-[(2-phenylphenyl)methyl]-2-propylindole-6-carboxamide
CID 22627505
3-(2-methylpropanoyl)-1-(1-phenylethyl)-2-propylindole-6-carboxamide
CID 22627332
1-[(2-cyanophenyl)methyl]-3-(2-methylpropanoyl)-2-propylindole-6-carboxylic acid
CID 22627202
1-[(2-chlorophenyl)methyl]-3-(morpholine-4-carbonyl)-2-propylindole-6-carboxamide
CID 22627368
4-(3-hydroxyphenyl)-2-methyl-5-propyl-1-(pyridin-2-ylmethyl)pyrrole-3-carboxamide
CID 4987970
3-N-[(3,4-difluorophenyl)methyl]-6-N-(1-hydroxybutan-2-yl)-2-propan-2-yl-1-(pyridin-2-ylmethyl)indole-3,6-dicarboxamide
CID 69228327
3-N-[(3,4-difluorophenyl)methyl]-6-N-[(2S)-1-hydroxybutan-2-yl]-2-propan-2-yl-1-(pyridin-2-ylmethyl)indole-3,6-dicarboxamide
CID 69228325
ethyl 3-[(4-ethyl-3-fluorophenyl)methylcarbamoyl]-2-propan-2-yl-1-(pyridin-2-ylmethyl)indole-6-carboxylate;molecular hydrogen
CID 143866683
ethyl 3-[(5-fluoro-3-pyridinyl)methylcarbamoyl]-2-propan-2-yl-1-(pyridin-2-ylmethyl)indole-6-carboxylate
CID 59762299
1-(1,3-benzothiazol-2-ylmethyl)-2-ethyl-3-(2-methylpropanoyl)indole-6-carboxylic acid
CID 22627524
5,11-bis(pyridin-2-ylmethyl)indolo[3,2-b]carbazole
CID 102503171
methyl 5-methyl-2-propyl-1-(pyridin-2-ylmethyl)pyrrole-3-carboxylate
CID 11608760

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylpropanoyl)-2-propyl-1-(pyridin-2-ylmethyl)indole-6-carboxamide?
The IUPAC name of 3-(2-methylpropanoyl)-2-propyl-1-(pyridin-2-ylmethyl)indole-6-carboxamide (CID 22627245) is 3-(2-methylpropanoyl)-2-propyl-1-(pyridin-2-ylmethyl)indole-6-carboxamide.
What is the SMILES notation for 3-(2-methylpropanoyl)-2-propyl-1-(pyridin-2-ylmethyl)indole-6-carboxamide?
The canonical SMILES for 3-(2-methylpropanoyl)-2-propyl-1-(pyridin-2-ylmethyl)indole-6-carboxamide is CCCc1c(C(=O)C(C)C)c2ccc(C(N)=O)cc2n1Cc1ccccn1.
What is the InChIKey of 3-(2-methylpropanoyl)-2-propyl-1-(pyridin-2-ylmethyl)indole-6-carboxamide?
The InChIKey is SPIJRCDZOKSVEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O2/c1-4-7-18-20(21(26)14(2)3)17-10-9-15(22(23)27)12-19(17)25(18)13-16-8-5-6-11-24-16/h5-6,8-12,14H,4,7,13H2,1-3H3,(H2,23,27).
What are the key properties of 3-(2-methylpropanoyl)-2-propyl-1-(pyridin-2-ylmethyl)indole-6-carboxamide?
3-(2-methylpropanoyl)-2-propyl-1-(pyridin-2-ylmethyl)indole-6-carboxamide has a molecular weight of 363.46 g/mol, XLogP of 3.97, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylpropanoyl)-2-propyl-1-(pyridin-2-ylmethyl)indole-6-carboxamide is sourced from PubChem (CID 22627245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).