3-[1-[(2-methylphenyl)methyl]indol-3-yl]-N-(pyridin-2-ylmethyl)propanamide

C25H25N3O — CID 20900008

IUPAC3-[1-[(2-methylphenyl)methyl]indol-3-yl]-N-(pyridin-2-ylmethyl)propanamide
SMILESCc1ccccc1Cn1cc(CCC(=O)NCc2ccccn2)c2ccccc21
InChIInChI=1S/C25H25N3O/c1-19-8-2-3-9-20(19)17-28-18-21(23-11-4-5-12-24(23)28)13-14-25(29)27-16-22-10-6-7-15-26-22/h2-12,15,18H,13-14,16-17H2,1H3,(H,27,29)
InChIKeyFCSUVWSMWBVHJN-UHFFFAOYSA-N
MW383.50 g/mol
LogP4.64
Rot. Bonds7

About 3-[1-[(2-methylphenyl)methyl]indol-3-yl]-N-(pyridin-2-ylmethyl)propanamide

3-[1-[(2-methylphenyl)methyl]indol-3-yl]-N-(pyridin-2-ylmethyl)propanamide (PubChem CID 20900008) has the molecular formula C25H25N3O and a molecular weight of 383.50 g/mol. Its IUPAC name is 3-[1-[(2-methylphenyl)methyl]indol-3-yl]-N-(pyridin-2-ylmethyl)propanamide.

Molecular Properties

Compound Name3-[1-[(2-methylphenyl)methyl]indol-3-yl]-N-(pyridin-2-ylmethyl)propanamide
PubChem CID20900008
Molecular FormulaC25H25N3O
Molecular Weight383.50 g/mol
Exact Mass383.20
IUPAC Name3-[1-[(2-methylphenyl)methyl]indol-3-yl]-N-(pyridin-2-ylmethyl)propanamide
SMILESCc1ccccc1Cn1cc(CCC(=O)NCc2ccccn2)c2ccccc21
InChIInChI=1S/C25H25N3O/c1-19-8-2-3-9-20(19)17-28-18-21(23-11-4-5-12-24(23)28)13-14-25(29)27-16-22-10-6-7-15-26-22/h2-12,15,18H,13-14,16-17H2,1H3,(H,27,29)
InChIKeyFCSUVWSMWBVHJN-UHFFFAOYSA-N
XLogP4.64
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.50
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[1-(2-methoxyethyl)indol-3-yl]-N-(pyridin-2-ylmethyl)propanamide
CID 71701153
N-butyl-3-[1-[(2-methylphenyl)methyl]indol-3-yl]propanamide
CID 20900041
N-(cyclopenta-1,3-dien-1-ylmethyl)-3-[1-[(2-methylphenyl)methyl]indol-3-yl]propanamide
CID 164781372
3-[1-[(2-methylphenyl)methyl]indol-3-yl]-N-(3-propan-2-yloxypropyl)propanamide
CID 20900039
N-(2-methylcyclohexyl)-3-[1-[(2-methylphenyl)methyl]indol-3-yl]propanamide
CID 20900033
N-[(2-bromophenyl)methyl]-3-[1-[(2,5-dimethylphenyl)methyl]indol-3-yl]propanamide
CID 20900096
3-[1-[(2-methylphenyl)methyl]indol-3-yl]-N-(3-morpholin-4-ylpropyl)propanamide
CID 46274643
3-(1-methylindol-3-yl)-N-(2-pyridin-2-ylethyl)propanamide
CID 71702593
5-[1-[(2-methylphenyl)methyl]indol-3-yl]pentan-2-one;1,2,3-trimethylbenzene
CID 154688157
N-(2,3-dimethylcyclohexyl)-3-[1-[(2-methylphenyl)methyl]indol-3-yl]propanamide
CID 20900035
3-(1,5-dimethylpyrazol-4-yl)-N-(pyridin-2-ylmethyl)propanamide
CID 35762699
3-[1-[(2-methylphenyl)methyl]indol-3-yl]-1-morpholin-4-ylpropan-1-one
CID 20900005

Frequently Asked Questions

What is the IUPAC name of 3-[1-[(2-methylphenyl)methyl]indol-3-yl]-N-(pyridin-2-ylmethyl)propanamide?
The IUPAC name of 3-[1-[(2-methylphenyl)methyl]indol-3-yl]-N-(pyridin-2-ylmethyl)propanamide (CID 20900008) is 3-[1-[(2-methylphenyl)methyl]indol-3-yl]-N-(pyridin-2-ylmethyl)propanamide.
What is the SMILES notation for 3-[1-[(2-methylphenyl)methyl]indol-3-yl]-N-(pyridin-2-ylmethyl)propanamide?
The canonical SMILES for 3-[1-[(2-methylphenyl)methyl]indol-3-yl]-N-(pyridin-2-ylmethyl)propanamide is Cc1ccccc1Cn1cc(CCC(=O)NCc2ccccn2)c2ccccc21.
What is the InChIKey of 3-[1-[(2-methylphenyl)methyl]indol-3-yl]-N-(pyridin-2-ylmethyl)propanamide?
The InChIKey is FCSUVWSMWBVHJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O/c1-19-8-2-3-9-20(19)17-28-18-21(23-11-4-5-12-24(23)28)13-14-25(29)27-16-22-10-6-7-15-26-22/h2-12,15,18H,13-14,16-17H2,1H3,(H,27,29).
What are the key properties of 3-[1-[(2-methylphenyl)methyl]indol-3-yl]-N-(pyridin-2-ylmethyl)propanamide?
3-[1-[(2-methylphenyl)methyl]indol-3-yl]-N-(pyridin-2-ylmethyl)propanamide has a molecular weight of 383.50 g/mol, XLogP of 4.64, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[(2-methylphenyl)methyl]indol-3-yl]-N-(pyridin-2-ylmethyl)propanamide is sourced from PubChem (CID 20900008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).