5-[(6-methoxy-1,2,3,4-tetrahydronaphthalene-2-carbonyl)amino]pyridine-2-carboxylic acid

C18H18N2O4 — CID 138029318

IUPAC5-[(6-methoxy-1,2,3,4-tetrahydronaphthalene-2-carbonyl)amino]pyridine-2-carboxylic acid
SMILESCOc1ccc2c(c1)CCC(C(=O)Nc1ccc(C(=O)O)nc1)C2
InChIInChI=1S/C18H18N2O4/c1-24-15-6-4-11-8-13(3-2-12(11)9-15)17(21)20-14-5-7-16(18(22)23)19-10-14/h4-7,9-10,13H,2-3,8H2,1H3,(H,20,21)(H,22,23)
InChIKeyPZYCMSYWLCAXRU-UHFFFAOYSA-N
MW326.35 g/mol
LogP2.53
Rot. Bonds4

About 5-[(6-methoxy-1,2,3,4-tetrahydronaphthalene-2-carbonyl)amino]pyridine-2-carboxylic acid

5-[(6-methoxy-1,2,3,4-tetrahydronaphthalene-2-carbonyl)amino]pyridine-2-carboxylic acid (PubChem CID 138029318) has the molecular formula C18H18N2O4 and a molecular weight of 326.35 g/mol. Its IUPAC name is 5-[(6-methoxy-1,2,3,4-tetrahydronaphthalene-2-carbonyl)amino]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-[(6-methoxy-1,2,3,4-tetrahydronaphthalene-2-carbonyl)amino]pyridine-2-carboxylic acid
PubChem CID138029318
Molecular FormulaC18H18N2O4
Molecular Weight326.35 g/mol
Exact Mass326.13
IUPAC Name5-[(6-methoxy-1,2,3,4-tetrahydronaphthalene-2-carbonyl)amino]pyridine-2-carboxylic acid
SMILESCOc1ccc2c(c1)CCC(C(=O)Nc1ccc(C(=O)O)nc1)C2
InChIInChI=1S/C18H18N2O4/c1-24-15-6-4-11-8-13(3-2-12(11)9-15)17(21)20-14-5-7-16(18(22)23)19-10-14/h4-7,9-10,13H,2-3,8H2,1H3,(H,20,21)(H,22,23)
InChIKeyPZYCMSYWLCAXRU-UHFFFAOYSA-N
XLogP2.53
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.35
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl (2R)-6-methoxy-1,2,3,4-tetrahydronaphthalene-2-carboxylate
CID 22882753
5-[(7-methoxy-3,4-dihydro-2H-chromene-3-carbonyl)amino]-N,N-dimethylpyridine-2-carboxamide
CID 166255735
5-[(6-oxopiperidine-3-carbonyl)amino]pyridine-2-carboxylic acid
CID 83192913
(2S)-7-methoxy-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid
CID 10632089
N-[1-(cyclopropylmethyl)pyrazol-3-yl]-6-methoxy-1,2,3,4-tetrahydronaphthalene-2-carboxamide
CID 166282636
5-[(2-amino-5-methoxybenzoyl)amino]pyridine-2-carboxylic acid
CID 115413708
5-[(7-chloroisoquinolin-1-yl)amino]-N-[(2R)-6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl]pyridine-2-carboxamide
CID 175868348
2-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)amino]acetic acid
CID 13472347
N-(4-methoxyphenyl)-2-(pyrrolidine-1-carbonyl)-4,5,6,7-tetrahydro-1-benzothiophene-5-carboxamide
CID 53187917
N-[4-(cyclopropanecarbonylamino)phenyl]-6-methoxyquinoline-2-carboxamide
CID 24601678
5-acetamidopyridine-2-carboxylic acid
CID 5278292
N-(4-methoxyphenyl)-4-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide
CID 109145697

Frequently Asked Questions

What is the IUPAC name of 5-[(6-methoxy-1,2,3,4-tetrahydronaphthalene-2-carbonyl)amino]pyridine-2-carboxylic acid?
The IUPAC name of 5-[(6-methoxy-1,2,3,4-tetrahydronaphthalene-2-carbonyl)amino]pyridine-2-carboxylic acid (CID 138029318) is 5-[(6-methoxy-1,2,3,4-tetrahydronaphthalene-2-carbonyl)amino]pyridine-2-carboxylic acid.
What is the SMILES notation for 5-[(6-methoxy-1,2,3,4-tetrahydronaphthalene-2-carbonyl)amino]pyridine-2-carboxylic acid?
The canonical SMILES for 5-[(6-methoxy-1,2,3,4-tetrahydronaphthalene-2-carbonyl)amino]pyridine-2-carboxylic acid is COc1ccc2c(c1)CCC(C(=O)Nc1ccc(C(=O)O)nc1)C2.
What is the InChIKey of 5-[(6-methoxy-1,2,3,4-tetrahydronaphthalene-2-carbonyl)amino]pyridine-2-carboxylic acid?
The InChIKey is PZYCMSYWLCAXRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O4/c1-24-15-6-4-11-8-13(3-2-12(11)9-15)17(21)20-14-5-7-16(18(22)23)19-10-14/h4-7,9-10,13H,2-3,8H2,1H3,(H,20,21)(H,22,23).
What are the key properties of 5-[(6-methoxy-1,2,3,4-tetrahydronaphthalene-2-carbonyl)amino]pyridine-2-carboxylic acid?
5-[(6-methoxy-1,2,3,4-tetrahydronaphthalene-2-carbonyl)amino]pyridine-2-carboxylic acid has a molecular weight of 326.35 g/mol, XLogP of 2.53, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(6-methoxy-1,2,3,4-tetrahydronaphthalene-2-carbonyl)amino]pyridine-2-carboxylic acid is sourced from PubChem (CID 138029318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).