3-(1-methylindol-3-yl)-N-(pyridin-4-ylmethyl)-3-thiophen-3-ylpropanamide

C22H21N3OS — CID 42774657

IUPAC3-(1-methylindol-3-yl)-N-(pyridin-4-ylmethyl)-3-thiophen-3-ylpropanamide
SMILESCn1cc(C(CC(=O)NCc2ccncc2)c2ccsc2)c2ccccc21
InChIInChI=1S/C22H21N3OS/c1-25-14-20(18-4-2-3-5-21(18)25)19(17-8-11-27-15-17)12-22(26)24-13-16-6-9-23-10-7-16/h2-11,14-15,19H,12-13H2,1H3,(H,24,26)
InChIKeyZECGGKHTNICZMB-UHFFFAOYSA-N
MW375.50 g/mol
LogP4.47
Rot. Bonds6

About 3-(1-methylindol-3-yl)-N-(pyridin-4-ylmethyl)-3-thiophen-3-ylpropanamide

3-(1-methylindol-3-yl)-N-(pyridin-4-ylmethyl)-3-thiophen-3-ylpropanamide (PubChem CID 42774657) has the molecular formula C22H21N3OS and a molecular weight of 375.50 g/mol. Its IUPAC name is 3-(1-methylindol-3-yl)-N-(pyridin-4-ylmethyl)-3-thiophen-3-ylpropanamide.

Molecular Properties

Compound Name3-(1-methylindol-3-yl)-N-(pyridin-4-ylmethyl)-3-thiophen-3-ylpropanamide
PubChem CID42774657
Molecular FormulaC22H21N3OS
Molecular Weight375.50 g/mol
Exact Mass375.14
IUPAC Name3-(1-methylindol-3-yl)-N-(pyridin-4-ylmethyl)-3-thiophen-3-ylpropanamide
SMILESCn1cc(C(CC(=O)NCc2ccncc2)c2ccsc2)c2ccccc21
InChIInChI=1S/C22H21N3OS/c1-25-14-20(18-4-2-3-5-21(18)25)19(17-8-11-27-15-17)12-22(26)24-13-16-6-9-23-10-7-16/h2-11,14-15,19H,12-13H2,1H3,(H,24,26)
InChIKeyZECGGKHTNICZMB-UHFFFAOYSA-N
XLogP4.47
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.50
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(1-methylindol-3-yl)-3-(3-phenylmethoxyphenyl)-N-(pyridin-4-ylmethyl)propanamide
CID 42774633
N-benzyl-3-(1-methylindol-3-yl)-3-(3-methylphenyl)propanamide
CID 3336280
3-(4-methoxyphenyl)-3-(1-methylindol-3-yl)-N-(pyridin-3-ylmethyl)propanamide
CID 46132027
3-(1-methylindol-3-yl)-3-phenyl-N-(2-phenylethyl)propanamide
CID 42774761
(3R)-3-(1-benzylindol-3-yl)-3-(4-chlorophenyl)-N-(pyridin-4-ylmethyl)propanamide
CID 98926923
3-(2-methylphenyl)-3-phenyl-N-(pyridin-4-ylmethyl)propanamide
CID 45207071
(3S)-3-(1-benzylindol-3-yl)-3-(4-ethoxyphenyl)-N-(pyridin-4-ylmethyl)propanamide
CID 98524903
(3R)-3-(1-benzylindol-3-yl)-3-(3,5-dimethoxyphenyl)-N-(pyridin-4-ylmethyl)propanamide
CID 93110594
(3S)-3-(1-benzylindol-3-yl)-N-(pyridin-4-ylmethyl)-3-[4-(trifluoromethyl)phenyl]propanamide
CID 98926938
(3R)-3-(1-benzylindol-3-yl)-N-(pyridin-4-ylmethyl)-3-[4-(trifluoromethyl)phenyl]propanamide
CID 98926939
3-[1-[(4-fluorophenyl)methyl]indol-3-yl]-N-propyl-3-thiophen-3-ylpropanamide
CID 42774268
3-(1-methylindol-3-yl)-3-(3-methylphenyl)-N-(2-methylpropyl)propanamide
CID 42774737

Frequently Asked Questions

What is the IUPAC name of 3-(1-methylindol-3-yl)-N-(pyridin-4-ylmethyl)-3-thiophen-3-ylpropanamide?
The IUPAC name of 3-(1-methylindol-3-yl)-N-(pyridin-4-ylmethyl)-3-thiophen-3-ylpropanamide (CID 42774657) is 3-(1-methylindol-3-yl)-N-(pyridin-4-ylmethyl)-3-thiophen-3-ylpropanamide.
What is the SMILES notation for 3-(1-methylindol-3-yl)-N-(pyridin-4-ylmethyl)-3-thiophen-3-ylpropanamide?
The canonical SMILES for 3-(1-methylindol-3-yl)-N-(pyridin-4-ylmethyl)-3-thiophen-3-ylpropanamide is Cn1cc(C(CC(=O)NCc2ccncc2)c2ccsc2)c2ccccc21.
What is the InChIKey of 3-(1-methylindol-3-yl)-N-(pyridin-4-ylmethyl)-3-thiophen-3-ylpropanamide?
The InChIKey is ZECGGKHTNICZMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3OS/c1-25-14-20(18-4-2-3-5-21(18)25)19(17-8-11-27-15-17)12-22(26)24-13-16-6-9-23-10-7-16/h2-11,14-15,19H,12-13H2,1H3,(H,24,26).
What are the key properties of 3-(1-methylindol-3-yl)-N-(pyridin-4-ylmethyl)-3-thiophen-3-ylpropanamide?
3-(1-methylindol-3-yl)-N-(pyridin-4-ylmethyl)-3-thiophen-3-ylpropanamide has a molecular weight of 375.50 g/mol, XLogP of 4.47, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methylindol-3-yl)-N-(pyridin-4-ylmethyl)-3-thiophen-3-ylpropanamide is sourced from PubChem (CID 42774657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).