N-[1-[acetyl-[(2-methoxyphenyl)methyl]amino]-3-(1H-indol-3-yl)propan-2-yl]-2-pyridin-2-yloxyacetamide

C28H30N4O4 — CID 18326789

IUPACN-[1-[acetyl-[(2-methoxyphenyl)methyl]amino]-3-(1H-indol-3-yl)propan-2-yl]-2-pyridin-2-yloxyacetamide
SMILESCOc1ccccc1CN(CC(Cc1c[nH]c2ccccc12)NC(=O)COc1ccccn1)C(C)=O
InChIInChI=1S/C28H30N4O4/c1-20(33)32(17-21-9-3-6-12-26(21)35-2)18-23(15-22-16-30-25-11-5-4-10-24(22)25)31-27(34)19-36-28-13-7-8-14-29-28/h3-14,16,23,30H,15,17-19H2,1-2H3,(H,31,34)
InChIKeyCYVNFTXUQPTGAD-UHFFFAOYSA-N
MW486.57 g/mol
LogP3.73
Rot. Bonds11

About N-[1-[acetyl-[(2-methoxyphenyl)methyl]amino]-3-(1H-indol-3-yl)propan-2-yl]-2-pyridin-2-yloxyacetamide

N-[1-[acetyl-[(2-methoxyphenyl)methyl]amino]-3-(1H-indol-3-yl)propan-2-yl]-2-pyridin-2-yloxyacetamide (PubChem CID 18326789) has the molecular formula C28H30N4O4 and a molecular weight of 486.57 g/mol. Its IUPAC name is N-[1-[acetyl-[(2-methoxyphenyl)methyl]amino]-3-(1H-indol-3-yl)propan-2-yl]-2-pyridin-2-yloxyacetamide.

Molecular Properties

Compound NameN-[1-[acetyl-[(2-methoxyphenyl)methyl]amino]-3-(1H-indol-3-yl)propan-2-yl]-2-pyridin-2-yloxyacetamide
PubChem CID18326789
Molecular FormulaC28H30N4O4
Molecular Weight486.57 g/mol
Exact Mass486.23
IUPAC NameN-[1-[acetyl-[(2-methoxyphenyl)methyl]amino]-3-(1H-indol-3-yl)propan-2-yl]-2-pyridin-2-yloxyacetamide
SMILESCOc1ccccc1CN(CC(Cc1c[nH]c2ccccc12)NC(=O)COc1ccccn1)C(C)=O
InChIInChI=1S/C28H30N4O4/c1-20(33)32(17-21-9-3-6-12-26(21)35-2)18-23(15-22-16-30-25-11-5-4-10-24(22)25)31-27(34)19-36-28-13-7-8-14-29-28/h3-14,16,23,30H,15,17-19H2,1-2H3,(H,31,34)
InChIKeyCYVNFTXUQPTGAD-UHFFFAOYSA-N
XLogP3.73
TPSA96.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.57
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-[acetyl-[(2-methoxyphenyl)methyl]amino]-3-(1H-indol-3-yl)propan-2-yl]-2-pyridin-2-yloxyacetamide?
The IUPAC name of N-[1-[acetyl-[(2-methoxyphenyl)methyl]amino]-3-(1H-indol-3-yl)propan-2-yl]-2-pyridin-2-yloxyacetamide (CID 18326789) is N-[1-[acetyl-[(2-methoxyphenyl)methyl]amino]-3-(1H-indol-3-yl)propan-2-yl]-2-pyridin-2-yloxyacetamide.
What is the SMILES notation for N-[1-[acetyl-[(2-methoxyphenyl)methyl]amino]-3-(1H-indol-3-yl)propan-2-yl]-2-pyridin-2-yloxyacetamide?
The canonical SMILES for N-[1-[acetyl-[(2-methoxyphenyl)methyl]amino]-3-(1H-indol-3-yl)propan-2-yl]-2-pyridin-2-yloxyacetamide is COc1ccccc1CN(CC(Cc1c[nH]c2ccccc12)NC(=O)COc1ccccn1)C(C)=O.
What is the InChIKey of N-[1-[acetyl-[(2-methoxyphenyl)methyl]amino]-3-(1H-indol-3-yl)propan-2-yl]-2-pyridin-2-yloxyacetamide?
The InChIKey is CYVNFTXUQPTGAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N4O4/c1-20(33)32(17-21-9-3-6-12-26(21)35-2)18-23(15-22-16-30-25-11-5-4-10-24(22)25)31-27(34)19-36-28-13-7-8-14-29-28/h3-14,16,23,30H,15,17-19H2,1-2H3,(H,31,34).
What are the key properties of N-[1-[acetyl-[(2-methoxyphenyl)methyl]amino]-3-(1H-indol-3-yl)propan-2-yl]-2-pyridin-2-yloxyacetamide?
N-[1-[acetyl-[(2-methoxyphenyl)methyl]amino]-3-(1H-indol-3-yl)propan-2-yl]-2-pyridin-2-yloxyacetamide has a molecular weight of 486.57 g/mol, XLogP of 3.73, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[acetyl-[(2-methoxyphenyl)methyl]amino]-3-(1H-indol-3-yl)propan-2-yl]-2-pyridin-2-yloxyacetamide is sourced from PubChem (CID 18326789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).