2-[(R)-hydroxy(1H-indol-4-yl)methyl]-6-(methylcarbamoyl)pyridine-4-carboxylic acid

C17H15N3O4 — CID 175774650

IUPAC2-[(R)-hydroxy(1H-indol-4-yl)methyl]-6-(methylcarbamoyl)pyridine-4-carboxylic acid
SMILESCNC(=O)c1cc(C(=O)O)cc([C@H](O)c2cccc3[nH]ccc23)n1
InChIInChI=1S/C17H15N3O4/c1-18-16(22)14-8-9(17(23)24)7-13(20-14)15(21)11-3-2-4-12-10(11)5-6-19-12/h2-8,15,19,21H,1H3,(H,18,22)(H,23,24)/t15-/m1/s1
InChIKeyBWAGGOHCLBGGRW-OAHLLOKOSA-N
MW325.32 g/mol
LogP1.70
Rot. Bonds4

About 2-[(R)-hydroxy(1H-indol-4-yl)methyl]-6-(methylcarbamoyl)pyridine-4-carboxylic acid

2-[(R)-hydroxy(1H-indol-4-yl)methyl]-6-(methylcarbamoyl)pyridine-4-carboxylic acid (PubChem CID 175774650) has the molecular formula C17H15N3O4 and a molecular weight of 325.32 g/mol. Its IUPAC name is 2-[(R)-hydroxy(1H-indol-4-yl)methyl]-6-(methylcarbamoyl)pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-[(R)-hydroxy(1H-indol-4-yl)methyl]-6-(methylcarbamoyl)pyridine-4-carboxylic acid
PubChem CID175774650
Molecular FormulaC17H15N3O4
Molecular Weight325.32 g/mol
Exact Mass325.11
IUPAC Name2-[(R)-hydroxy(1H-indol-4-yl)methyl]-6-(methylcarbamoyl)pyridine-4-carboxylic acid
SMILESCNC(=O)c1cc(C(=O)O)cc([C@H](O)c2cccc3[nH]ccc23)n1
InChIInChI=1S/C17H15N3O4/c1-18-16(22)14-8-9(17(23)24)7-13(20-14)15(21)11-3-2-4-12-10(11)5-6-19-12/h2-8,15,19,21H,1H3,(H,18,22)(H,23,24)/t15-/m1/s1
InChIKeyBWAGGOHCLBGGRW-OAHLLOKOSA-N
XLogP1.70
TPSA115.31 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.32
LogP ≤ 51.70
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 2-[(R)-hydroxy(1H-indol-4-yl)methyl]-6-(methylcarbamoyl)pyridine-4-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[1-(1H-indol-4-yl)ethenyl]-6-(methylcarbamoyl)pyridine-4-carboxylic acid
CID 131988963
2-[1-(1-formyl-2,3-dihydroindol-4-yl)ethyl]-6-(methylcarbamoyl)pyridine-4-carboxylic acid
CID 131988926
4-N-cyclopropyl-6-[(S)-hydroxy-(2-methylphenyl)methyl]-2-N-methylpyridine-2,4-dicarboxamide
CID 139295953
4-propan-2-yl-1H-indole-6-carboxylic acid
CID 159922488
2-propanoyl-6-[1-(1H-pyrrolo[2,3-c]pyridin-4-yl)propyl]pyridine-4-carboxylic acid
CID 158477865
(3,5-dimethylphenyl)-(1H-indol-4-yl)methanol
CID 115351861
4-N-(3-azabicyclo[3.1.0]hexan-6-yl)-6-(1H-indol-4-ylmethyl)-2-N-methylpyridine-2,4-dicarboxamide
CID 155238143
5-N-(4-hydroxycyclohexyl)-1-[(1R)-1-(1H-indol-4-yl)ethyl]-3-N-methylpyrazole-3,5-dicarboxamide
CID 142418097
benzoic acid;(2R)-1-(tert-butylamino)-3-[2-[(S)-hydroxy(1H-indol-4-yl)methyl]phenoxy]propan-2-ol
CID 3077197
6-(1H-indol-4-ylmethyl)-2-N-methyl-4-N-(1-methylpyrazol-4-yl)pyridine-2,4-dicarboxamide
CID 151593325
3-(1H-indol-4-yl)-7-(methylcarbamoyl)-2,3-dihydro-1-benzofuran-5-carboxylic acid
CID 138523726
6-(1H-indol-4-ylmethyl)-2-N-methyl-4-N-[(1R,5S)-3-oxabicyclo[3.1.0]hexan-6-ylidene]pyridine-2,4-dicarboxamide
CID 163909533

Frequently Asked Questions

What is the IUPAC name of 2-[(R)-hydroxy(1H-indol-4-yl)methyl]-6-(methylcarbamoyl)pyridine-4-carboxylic acid?
The IUPAC name of 2-[(R)-hydroxy(1H-indol-4-yl)methyl]-6-(methylcarbamoyl)pyridine-4-carboxylic acid (CID 175774650) is 2-[(R)-hydroxy(1H-indol-4-yl)methyl]-6-(methylcarbamoyl)pyridine-4-carboxylic acid.
What is the SMILES notation for 2-[(R)-hydroxy(1H-indol-4-yl)methyl]-6-(methylcarbamoyl)pyridine-4-carboxylic acid?
The canonical SMILES for 2-[(R)-hydroxy(1H-indol-4-yl)methyl]-6-(methylcarbamoyl)pyridine-4-carboxylic acid is CNC(=O)c1cc(C(=O)O)cc([C@H](O)c2cccc3[nH]ccc23)n1.
What is the InChIKey of 2-[(R)-hydroxy(1H-indol-4-yl)methyl]-6-(methylcarbamoyl)pyridine-4-carboxylic acid?
The InChIKey is BWAGGOHCLBGGRW-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H15N3O4/c1-18-16(22)14-8-9(17(23)24)7-13(20-14)15(21)11-3-2-4-12-10(11)5-6-19-12/h2-8,15,19,21H,1H3,(H,18,22)(H,23,24)/t15-/m1/s1.
What are the key properties of 2-[(R)-hydroxy(1H-indol-4-yl)methyl]-6-(methylcarbamoyl)pyridine-4-carboxylic acid?
2-[(R)-hydroxy(1H-indol-4-yl)methyl]-6-(methylcarbamoyl)pyridine-4-carboxylic acid has a molecular weight of 325.32 g/mol, XLogP of 1.70, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(R)-hydroxy(1H-indol-4-yl)methyl]-6-(methylcarbamoyl)pyridine-4-carboxylic acid is sourced from PubChem (CID 175774650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).