2-[3-cyano-1-(cyclopropylmethyl)indol-5-yl]pyridine-4-carboxylic acid

C19H15N3O2 — CID 51353128

IUPAC2-[3-cyano-1-(cyclopropylmethyl)indol-5-yl]pyridine-4-carboxylic acid
SMILESN#Cc1cn(CC2CC2)c2ccc(-c3cc(C(=O)O)ccn3)cc12
InChIInChI=1S/C19H15N3O2/c20-9-15-11-22(10-12-1-2-12)18-4-3-13(7-16(15)18)17-8-14(19(23)24)5-6-21-17/h3-8,11-12H,1-2,10H2,(H,23,24)
InChIKeyMHJSHOXSYFENTO-UHFFFAOYSA-N
MW317.35 g/mol
LogP3.68
Rot. Bonds4

About 2-[3-cyano-1-(cyclopropylmethyl)indol-5-yl]pyridine-4-carboxylic acid

2-[3-cyano-1-(cyclopropylmethyl)indol-5-yl]pyridine-4-carboxylic acid (PubChem CID 51353128) has the molecular formula C19H15N3O2 and a molecular weight of 317.35 g/mol. Its IUPAC name is 2-[3-cyano-1-(cyclopropylmethyl)indol-5-yl]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-[3-cyano-1-(cyclopropylmethyl)indol-5-yl]pyridine-4-carboxylic acid
PubChem CID51353128
Molecular FormulaC19H15N3O2
Molecular Weight317.35 g/mol
Exact Mass317.12
IUPAC Name2-[3-cyano-1-(cyclopropylmethyl)indol-5-yl]pyridine-4-carboxylic acid
SMILESN#Cc1cn(CC2CC2)c2ccc(-c3cc(C(=O)O)ccn3)cc12
InChIInChI=1S/C19H15N3O2/c20-9-15-11-22(10-12-1-2-12)18-4-3-13(7-16(15)18)17-8-14(19(23)24)5-6-21-17/h3-8,11-12H,1-2,10H2,(H,23,24)
InChIKeyMHJSHOXSYFENTO-UHFFFAOYSA-N
XLogP3.68
TPSA78.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3-cyano-1-(cyclopropylmethyl)indol-5-yl]pyridine-4-carboxylic acid?
The IUPAC name of 2-[3-cyano-1-(cyclopropylmethyl)indol-5-yl]pyridine-4-carboxylic acid (CID 51353128) is 2-[3-cyano-1-(cyclopropylmethyl)indol-5-yl]pyridine-4-carboxylic acid.
What is the SMILES notation for 2-[3-cyano-1-(cyclopropylmethyl)indol-5-yl]pyridine-4-carboxylic acid?
The canonical SMILES for 2-[3-cyano-1-(cyclopropylmethyl)indol-5-yl]pyridine-4-carboxylic acid is N#Cc1cn(CC2CC2)c2ccc(-c3cc(C(=O)O)ccn3)cc12.
What is the InChIKey of 2-[3-cyano-1-(cyclopropylmethyl)indol-5-yl]pyridine-4-carboxylic acid?
The InChIKey is MHJSHOXSYFENTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3O2/c20-9-15-11-22(10-12-1-2-12)18-4-3-13(7-16(15)18)17-8-14(19(23)24)5-6-21-17/h3-8,11-12H,1-2,10H2,(H,23,24).
What are the key properties of 2-[3-cyano-1-(cyclopropylmethyl)indol-5-yl]pyridine-4-carboxylic acid?
2-[3-cyano-1-(cyclopropylmethyl)indol-5-yl]pyridine-4-carboxylic acid has a molecular weight of 317.35 g/mol, XLogP of 3.68, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-cyano-1-(cyclopropylmethyl)indol-5-yl]pyridine-4-carboxylic acid is sourced from PubChem (CID 51353128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).