2-[2-[[1-(pyridin-2-ylmethyl)indole-3-carbonyl]amino]phenyl]acetic acid

C23H19N3O3 — CID 172686317

IUPAC2-[2-[[1-(pyridin-2-ylmethyl)indole-3-carbonyl]amino]phenyl]acetic acid
SMILESO=C(O)Cc1ccccc1NC(=O)c1cn(Cc2ccccn2)c2ccccc12
InChIInChI=1S/C23H19N3O3/c27-22(28)13-16-7-1-3-10-20(16)25-23(29)19-15-26(14-17-8-5-6-12-24-17)21-11-4-2-9-18(19)21/h1-12,15H,13-14H2,(H,25,29)(H,27,28)
InChIKeyBBUYOWJJIMRBOD-UHFFFAOYSA-N
MW385.42 g/mol
LogP3.96
Rot. Bonds6

About 2-[2-[[1-(pyridin-2-ylmethyl)indole-3-carbonyl]amino]phenyl]acetic acid

2-[2-[[1-(pyridin-2-ylmethyl)indole-3-carbonyl]amino]phenyl]acetic acid (PubChem CID 172686317) has the molecular formula C23H19N3O3 and a molecular weight of 385.42 g/mol. Its IUPAC name is 2-[2-[[1-(pyridin-2-ylmethyl)indole-3-carbonyl]amino]phenyl]acetic acid.

Molecular Properties

Compound Name2-[2-[[1-(pyridin-2-ylmethyl)indole-3-carbonyl]amino]phenyl]acetic acid
PubChem CID172686317
Molecular FormulaC23H19N3O3
Molecular Weight385.42 g/mol
Exact Mass385.14
IUPAC Name2-[2-[[1-(pyridin-2-ylmethyl)indole-3-carbonyl]amino]phenyl]acetic acid
SMILESO=C(O)Cc1ccccc1NC(=O)c1cn(Cc2ccccn2)c2ccccc12
InChIInChI=1S/C23H19N3O3/c27-22(28)13-16-7-1-3-10-20(16)25-23(29)19-15-26(14-17-8-5-6-12-24-17)21-11-4-2-9-18(19)21/h1-12,15H,13-14H2,(H,25,29)(H,27,28)
InChIKeyBBUYOWJJIMRBOD-UHFFFAOYSA-N
XLogP3.96
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.42
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-3-[[1-(pyridin-2-ylmethyl)indole-3-carbonyl]amino]pyrrole-2-carboxylic acid
CID 172801944
5-[[1-(pyridin-2-ylmethyl)indole-3-carbonyl]amino]pentanoic acid
CID 175130499
1-benzyl-N-(2-pyridin-2-ylethyl)indole-3-carboxamide
CID 31941346
ethyl 1-[[1-(pyridin-2-ylmethyl)indole-3-carbonyl]amino]cyclopropane-1-carboxylate
CID 172810073
3-[[5-cyano-1-(pyridin-2-ylmethyl)indole-3-carbonyl]amino]-1H-pyrrole-2-carboxylic acid
CID 172722628
N-(2-ethylphenyl)-1-propylpyrrolo[2,3-b]pyridine-3-carboxamide
CID 53162961
1-benzyl-N-(2,3-dimethylphenyl)indole-3-carboxamide
CID 24661406
1-benzyl-N-(2-imidazol-1-ylphenyl)indole-3-carboxamide
CID 55912029
2-[[1-[(4-bromophenyl)methyl]indole-3-carbonyl]amino]benzoic acid
CID 172864246
1-(2-methylpropyl)-N-(2-pyrrolidin-1-yl-3-pyridinyl)indole-3-carboxamide
CID 55961998
2-[3-[(pyridin-2-ylmethylamino)methyl]indol-1-yl]acetic acid
CID 102535957
1-(2-methoxyethyl)-N-(2-pyridin-2-ylethyl)indole-3-carboxamide
CID 71704949

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[1-(pyridin-2-ylmethyl)indole-3-carbonyl]amino]phenyl]acetic acid?
The IUPAC name of 2-[2-[[1-(pyridin-2-ylmethyl)indole-3-carbonyl]amino]phenyl]acetic acid (CID 172686317) is 2-[2-[[1-(pyridin-2-ylmethyl)indole-3-carbonyl]amino]phenyl]acetic acid.
What is the SMILES notation for 2-[2-[[1-(pyridin-2-ylmethyl)indole-3-carbonyl]amino]phenyl]acetic acid?
The canonical SMILES for 2-[2-[[1-(pyridin-2-ylmethyl)indole-3-carbonyl]amino]phenyl]acetic acid is O=C(O)Cc1ccccc1NC(=O)c1cn(Cc2ccccn2)c2ccccc12.
What is the InChIKey of 2-[2-[[1-(pyridin-2-ylmethyl)indole-3-carbonyl]amino]phenyl]acetic acid?
The InChIKey is BBUYOWJJIMRBOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3O3/c27-22(28)13-16-7-1-3-10-20(16)25-23(29)19-15-26(14-17-8-5-6-12-24-17)21-11-4-2-9-18(19)21/h1-12,15H,13-14H2,(H,25,29)(H,27,28).
What are the key properties of 2-[2-[[1-(pyridin-2-ylmethyl)indole-3-carbonyl]amino]phenyl]acetic acid?
2-[2-[[1-(pyridin-2-ylmethyl)indole-3-carbonyl]amino]phenyl]acetic acid has a molecular weight of 385.42 g/mol, XLogP of 3.96, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[1-(pyridin-2-ylmethyl)indole-3-carbonyl]amino]phenyl]acetic acid is sourced from PubChem (CID 172686317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).