2-[propyl(1,2,3,4-tetrahydronaphthalen-2-yl)carbamoyl]pyridine-4-carboxylic acid

C20H22N2O3 — CID 122055938

IUPAC2-[propyl(1,2,3,4-tetrahydronaphthalen-2-yl)carbamoyl]pyridine-4-carboxylic acid
SMILESCCCN(C(=O)c1cc(C(=O)O)ccn1)C1CCc2ccccc2C1
InChIInChI=1S/C20H22N2O3/c1-2-11-22(17-8-7-14-5-3-4-6-15(14)12-17)19(23)18-13-16(20(24)25)9-10-21-18/h3-6,9-10,13,17H,2,7-8,11-12H2,1H3,(H,24,25)
InChIKeyCBZJHEPSPGKEEH-UHFFFAOYSA-N
MW338.41 g/mol
LogP3.19
Rot. Bonds5

About 2-[propyl(1,2,3,4-tetrahydronaphthalen-2-yl)carbamoyl]pyridine-4-carboxylic acid

2-[propyl(1,2,3,4-tetrahydronaphthalen-2-yl)carbamoyl]pyridine-4-carboxylic acid (PubChem CID 122055938) has the molecular formula C20H22N2O3 and a molecular weight of 338.41 g/mol. Its IUPAC name is 2-[propyl(1,2,3,4-tetrahydronaphthalen-2-yl)carbamoyl]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-[propyl(1,2,3,4-tetrahydronaphthalen-2-yl)carbamoyl]pyridine-4-carboxylic acid
PubChem CID122055938
Molecular FormulaC20H22N2O3
Molecular Weight338.41 g/mol
Exact Mass338.16
IUPAC Name2-[propyl(1,2,3,4-tetrahydronaphthalen-2-yl)carbamoyl]pyridine-4-carboxylic acid
SMILESCCCN(C(=O)c1cc(C(=O)O)ccn1)C1CCc2ccccc2C1
InChIInChI=1S/C20H22N2O3/c1-2-11-22(17-8-7-14-5-3-4-6-15(14)12-17)19(23)18-13-16(20(24)25)9-10-21-18/h3-6,9-10,13,17H,2,7-8,11-12H2,1H3,(H,24,25)
InChIKeyCBZJHEPSPGKEEH-UHFFFAOYSA-N
XLogP3.19
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,5-dinitro-N-propyl-N-(1,2,3,4-tetrahydronaphthalen-2-yl)benzamide
CID 60575030
2-N-propyl-2-N-(1,2,3,4-tetrahydronaphthalen-2-yl)-1H-pyrrole-2,4-dicarboxamide
CID 71862222
2-N-propyl-2-N-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]-1H-pyrrole-2,4-dicarboxamide
CID 97027743
4-(aminomethyl)-N-propyl-N-(1,2,3,4-tetrahydronaphthalen-2-yl)benzamide;hydrochloride
CID 119303185
N-propyl-N-(1,2,3,4-tetrahydronaphthalen-2-yl)piperidine-4-carboxamide;hydrochloride
CID 119303183
N-propyl-N-(1,2,3,4-tetrahydronaphthalen-2-yl)-3-(tetrazol-1-yl)benzamide
CID 60575562
6-imidazol-1-yl-N-propyl-N-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]pyridine-3-carboxamide
CID 94648066
4-chloro-N-cyclopropyl-N-propylpyridine-2-carboxamide
CID 43270432
(2S)-2-amino-N-propyl-N-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]propanamide
CID 124591510
4-[butyl(cyclopropyl)carbamoyl]pyridine-2-carboxylic acid
CID 113263115
3-oxo-N-propyl-N-(1,2,3,4-tetrahydronaphthalen-2-yl)-2H-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 138993055
2-[cyclopropyl-(4-methylcyclohexyl)carbamoyl]pyridine-4-carboxylic acid
CID 122055290

Frequently Asked Questions

What is the IUPAC name of 2-[propyl(1,2,3,4-tetrahydronaphthalen-2-yl)carbamoyl]pyridine-4-carboxylic acid?
The IUPAC name of 2-[propyl(1,2,3,4-tetrahydronaphthalen-2-yl)carbamoyl]pyridine-4-carboxylic acid (CID 122055938) is 2-[propyl(1,2,3,4-tetrahydronaphthalen-2-yl)carbamoyl]pyridine-4-carboxylic acid.
What is the SMILES notation for 2-[propyl(1,2,3,4-tetrahydronaphthalen-2-yl)carbamoyl]pyridine-4-carboxylic acid?
The canonical SMILES for 2-[propyl(1,2,3,4-tetrahydronaphthalen-2-yl)carbamoyl]pyridine-4-carboxylic acid is CCCN(C(=O)c1cc(C(=O)O)ccn1)C1CCc2ccccc2C1.
What is the InChIKey of 2-[propyl(1,2,3,4-tetrahydronaphthalen-2-yl)carbamoyl]pyridine-4-carboxylic acid?
The InChIKey is CBZJHEPSPGKEEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O3/c1-2-11-22(17-8-7-14-5-3-4-6-15(14)12-17)19(23)18-13-16(20(24)25)9-10-21-18/h3-6,9-10,13,17H,2,7-8,11-12H2,1H3,(H,24,25).
What are the key properties of 2-[propyl(1,2,3,4-tetrahydronaphthalen-2-yl)carbamoyl]pyridine-4-carboxylic acid?
2-[propyl(1,2,3,4-tetrahydronaphthalen-2-yl)carbamoyl]pyridine-4-carboxylic acid has a molecular weight of 338.41 g/mol, XLogP of 3.19, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[propyl(1,2,3,4-tetrahydronaphthalen-2-yl)carbamoyl]pyridine-4-carboxylic acid is sourced from PubChem (CID 122055938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).