3-(1H-indol-7-ylmethylamino)pyridine-4-carboxylic acid

C15H13N3O2 — CID 77105706

IUPAC3-(1H-indol-7-ylmethylamino)pyridine-4-carboxylic acid
SMILESO=C(O)c1ccncc1NCc1cccc2cc[nH]c12
InChIInChI=1S/C15H13N3O2/c19-15(20)12-5-6-16-9-13(12)18-8-11-3-1-2-10-4-7-17-14(10)11/h1-7,9,17-18H,8H2,(H,19,20)
InChIKeyKVWQFKNSISVJGK-UHFFFAOYSA-N
MW267.29 g/mol
LogP2.87
Rot. Bonds4

About 3-(1H-indol-7-ylmethylamino)pyridine-4-carboxylic acid

3-(1H-indol-7-ylmethylamino)pyridine-4-carboxylic acid (PubChem CID 77105706) has the molecular formula C15H13N3O2 and a molecular weight of 267.29 g/mol. Its IUPAC name is 3-(1H-indol-7-ylmethylamino)pyridine-4-carboxylic acid.

Molecular Properties

Compound Name3-(1H-indol-7-ylmethylamino)pyridine-4-carboxylic acid
PubChem CID77105706
Molecular FormulaC15H13N3O2
Molecular Weight267.29 g/mol
Exact Mass267.10
IUPAC Name3-(1H-indol-7-ylmethylamino)pyridine-4-carboxylic acid
SMILESO=C(O)c1ccncc1NCc1cccc2cc[nH]c12
InChIInChI=1S/C15H13N3O2/c19-15(20)12-5-6-16-9-13(12)18-8-11-3-1-2-10-4-7-17-14(10)11/h1-7,9,17-18H,8H2,(H,19,20)
InChIKeyKVWQFKNSISVJGK-UHFFFAOYSA-N
XLogP2.87
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 52.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

Indole-3-Carboxylic Acid
CID 69867
1H-Indole-7-carboxylic acid
CID 74281
3-(Benzylamino)pyridine-4-carboxylic acid
CID 71767874
3-[2-(Dimethylamino)ethylcarbamoyl]pyrido[1,2-a]indole-10-carboxylic acid
CID 56589667
1H-indole-3-carboxylic acid 1-(3-carboxy-propyl)-piperidin-4-ylmethyl ester
CID 53318069
3-[2-(1H-indol-3-yl)ethylcarbamoyl]pyrazine-2-carboxylic Acid
CID 2392497
Tmc-205
CID 9794548
9H-pyrido(3,4-b)indole-1-carboxylic acid
CID 15573079
2-{[2-(1H-indol-3-yl)ethyl]amino}-5-(trifluoromethyl)benzoic acid
CID 164946663
1H-Indole-6-carboxylic acid, 3-cyclohexyl-2-(2-pyridinyl)-
CID 514285
3-(4-Phenylbutylamino)pyridine-4-carboxylic acid
CID 71765996
(E)-3-[3-(1H-indol-5-yl)-4-pyridinyl]prop-2-enoic acid
CID 162352565

Frequently Asked Questions

What is the IUPAC name of 3-(1H-indol-7-ylmethylamino)pyridine-4-carboxylic acid?
The IUPAC name of 3-(1H-indol-7-ylmethylamino)pyridine-4-carboxylic acid (CID 77105706) is 3-(1H-indol-7-ylmethylamino)pyridine-4-carboxylic acid.
What is the SMILES notation for 3-(1H-indol-7-ylmethylamino)pyridine-4-carboxylic acid?
The canonical SMILES for 3-(1H-indol-7-ylmethylamino)pyridine-4-carboxylic acid is O=C(O)c1ccncc1NCc1cccc2cc[nH]c12.
What is the InChIKey of 3-(1H-indol-7-ylmethylamino)pyridine-4-carboxylic acid?
The InChIKey is KVWQFKNSISVJGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O2/c19-15(20)12-5-6-16-9-13(12)18-8-11-3-1-2-10-4-7-17-14(10)11/h1-7,9,17-18H,8H2,(H,19,20).
What are the key properties of 3-(1H-indol-7-ylmethylamino)pyridine-4-carboxylic acid?
3-(1H-indol-7-ylmethylamino)pyridine-4-carboxylic acid has a molecular weight of 267.29 g/mol, XLogP of 2.87, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-indol-7-ylmethylamino)pyridine-4-carboxylic acid is sourced from PubChem (CID 77105706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).