3-(1-methylindol-3-yl)-3-(3-phenylmethoxyphenyl)-N-(pyridin-4-ylmethyl)propanamide

C31H29N3O2 — CID 42774633

IUPAC3-(1-methylindol-3-yl)-3-(3-phenylmethoxyphenyl)-N-(pyridin-4-ylmethyl)propanamide
SMILESCn1cc(C(CC(=O)NCc2ccncc2)c2cccc(OCc3ccccc3)c2)c2ccccc21
InChIInChI=1S/C31H29N3O2/c1-34-21-29(27-12-5-6-13-30(27)34)28(19-31(35)33-20-23-14-16-32-17-15-23)25-10-7-11-26(18-25)36-22-24-8-3-2-4-9-24/h2-18,21,28H,19-20,22H2,1H3,(H,33,35)
InChIKeyZLJKOOMMGRIUBL-UHFFFAOYSA-N
MW475.59 g/mol
LogP5.99
Rot. Bonds9

About 3-(1-methylindol-3-yl)-3-(3-phenylmethoxyphenyl)-N-(pyridin-4-ylmethyl)propanamide

3-(1-methylindol-3-yl)-3-(3-phenylmethoxyphenyl)-N-(pyridin-4-ylmethyl)propanamide (PubChem CID 42774633) has the molecular formula C31H29N3O2 and a molecular weight of 475.59 g/mol. Its IUPAC name is 3-(1-methylindol-3-yl)-3-(3-phenylmethoxyphenyl)-N-(pyridin-4-ylmethyl)propanamide.

Molecular Properties

Compound Name3-(1-methylindol-3-yl)-3-(3-phenylmethoxyphenyl)-N-(pyridin-4-ylmethyl)propanamide
PubChem CID42774633
Molecular FormulaC31H29N3O2
Molecular Weight475.59 g/mol
Exact Mass475.23
IUPAC Name3-(1-methylindol-3-yl)-3-(3-phenylmethoxyphenyl)-N-(pyridin-4-ylmethyl)propanamide
SMILESCn1cc(C(CC(=O)NCc2ccncc2)c2cccc(OCc3ccccc3)c2)c2ccccc21
InChIInChI=1S/C31H29N3O2/c1-34-21-29(27-12-5-6-13-30(27)34)28(19-31(35)33-20-23-14-16-32-17-15-23)25-10-7-11-26(18-25)36-22-24-8-3-2-4-9-24/h2-18,21,28H,19-20,22H2,1H3,(H,33,35)
InChIKeyZLJKOOMMGRIUBL-UHFFFAOYSA-N
XLogP5.99
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.59
LogP ≤ 55.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethoxy-3-(1-methylindol-3-yl)-3-(3-phenylmethoxyphenyl)propanamide
CID 4674943
3-(1-methylindol-3-yl)-N-(pyridin-4-ylmethyl)-3-thiophen-3-ylpropanamide
CID 42774657
N-benzyl-3-(1-methylindol-3-yl)-3-(3-methylphenyl)propanamide
CID 3336280
(3S)-3-(1-methylindol-3-yl)-3-(3-phenylmethoxyphenyl)-1-pyrrolidin-1-ylpropan-1-one
CID 93064354
3-(1-methylindol-3-yl)-N-[3-(2-methylpiperidin-1-yl)propyl]-3-(3-phenylmethoxyphenyl)propanamide
CID 42778020
3-(4-methoxyphenyl)-3-(1-methylindol-3-yl)-N-(pyridin-3-ylmethyl)propanamide
CID 46132027
(3R)-3-(1-benzylindol-3-yl)-3-(3,5-dimethoxyphenyl)-N-(pyridin-4-ylmethyl)propanamide
CID 93110594
3-[1-[(4-methylphenyl)methyl]indol-3-yl]-3-(3-phenylmethoxyphenyl)-N-(2-pyridin-2-ylethyl)propanamide
CID 90488621
(3S)-3-(1-benzylindol-3-yl)-3-(4-ethoxyphenyl)-N-(pyridin-4-ylmethyl)propanamide
CID 98524903
(3R)-N-(furan-2-ylmethyl)-3-[1-[(4-methoxyphenyl)methyl]indol-3-yl]-3-(3-phenylmethoxyphenyl)propanamide
CID 98443576
3-(1-methylindol-3-yl)-3-phenyl-N-(2-phenylethyl)propanamide
CID 42774761
N-(2-methoxyethyl)-3-(3-methoxy-4-phenylmethoxyphenyl)-3-(1-methylindol-3-yl)propanamide
CID 83284865

Frequently Asked Questions

What is the IUPAC name of 3-(1-methylindol-3-yl)-3-(3-phenylmethoxyphenyl)-N-(pyridin-4-ylmethyl)propanamide?
The IUPAC name of 3-(1-methylindol-3-yl)-3-(3-phenylmethoxyphenyl)-N-(pyridin-4-ylmethyl)propanamide (CID 42774633) is 3-(1-methylindol-3-yl)-3-(3-phenylmethoxyphenyl)-N-(pyridin-4-ylmethyl)propanamide.
What is the SMILES notation for 3-(1-methylindol-3-yl)-3-(3-phenylmethoxyphenyl)-N-(pyridin-4-ylmethyl)propanamide?
The canonical SMILES for 3-(1-methylindol-3-yl)-3-(3-phenylmethoxyphenyl)-N-(pyridin-4-ylmethyl)propanamide is Cn1cc(C(CC(=O)NCc2ccncc2)c2cccc(OCc3ccccc3)c2)c2ccccc21.
What is the InChIKey of 3-(1-methylindol-3-yl)-3-(3-phenylmethoxyphenyl)-N-(pyridin-4-ylmethyl)propanamide?
The InChIKey is ZLJKOOMMGRIUBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H29N3O2/c1-34-21-29(27-12-5-6-13-30(27)34)28(19-31(35)33-20-23-14-16-32-17-15-23)25-10-7-11-26(18-25)36-22-24-8-3-2-4-9-24/h2-18,21,28H,19-20,22H2,1H3,(H,33,35).
What are the key properties of 3-(1-methylindol-3-yl)-3-(3-phenylmethoxyphenyl)-N-(pyridin-4-ylmethyl)propanamide?
3-(1-methylindol-3-yl)-3-(3-phenylmethoxyphenyl)-N-(pyridin-4-ylmethyl)propanamide has a molecular weight of 475.59 g/mol, XLogP of 5.99, 9 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)-3-(3-phenylmethoxyphenyl)-N-(pyridin-4-ylmethyl)propanamide is sourced from PubChem (CID 42774633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).