methyl 5-[(2-methylphenyl)carbamoyl]-3,4-dihydro-1H-2,7-naphthyridine-2-carboxylate

C18H19N3O3 — CID 112520462

IUPACmethyl 5-[(2-methylphenyl)carbamoyl]-3,4-dihydro-1H-2,7-naphthyridine-2-carboxylate
SMILESCOC(=O)N1CCc2c(cncc2C(=O)Nc2ccccc2C)C1
InChIInChI=1S/C18H19N3O3/c1-12-5-3-4-6-16(12)20-17(22)15-10-19-9-13-11-21(18(23)24-2)8-7-14(13)15/h3-6,9-10H,7-8,11H2,1-2H3,(H,20,22)
InChIKeyJUIKIZOPPJSAAW-UHFFFAOYSA-N
MW325.37 g/mol
LogP2.77
Rot. Bonds2

About methyl 5-[(2-methylphenyl)carbamoyl]-3,4-dihydro-1H-2,7-naphthyridine-2-carboxylate

methyl 5-[(2-methylphenyl)carbamoyl]-3,4-dihydro-1H-2,7-naphthyridine-2-carboxylate (PubChem CID 112520462) has the molecular formula C18H19N3O3 and a molecular weight of 325.37 g/mol. Its IUPAC name is methyl 5-[(2-methylphenyl)carbamoyl]-3,4-dihydro-1H-2,7-naphthyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-[(2-methylphenyl)carbamoyl]-3,4-dihydro-1H-2,7-naphthyridine-2-carboxylate
PubChem CID112520462
Molecular FormulaC18H19N3O3
Molecular Weight325.37 g/mol
Exact Mass325.14
IUPAC Namemethyl 5-[(2-methylphenyl)carbamoyl]-3,4-dihydro-1H-2,7-naphthyridine-2-carboxylate
SMILESCOC(=O)N1CCc2c(cncc2C(=O)Nc2ccccc2C)C1
InChIInChI=1S/C18H19N3O3/c1-12-5-3-4-6-16(12)20-17(22)15-10-19-9-13-11-21(18(23)24-2)8-7-14(13)15/h3-6,9-10H,7-8,11H2,1-2H3,(H,20,22)
InChIKeyJUIKIZOPPJSAAW-UHFFFAOYSA-N
XLogP2.77
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 5-[(2,3-dimethylphenyl)carbamoyl]-3,4-dihydro-1H-2,7-naphthyridine-2-carboxylate
CID 112522574
7-acetyl-N-(2,3-dimethylphenyl)-6,8-dihydro-5H-2,7-naphthyridine-4-carboxamide
CID 112522571
methyl 5-[(4-phenoxyphenyl)carbamoyl]-3,4-dihydro-1H-2,7-naphthyridine-2-carboxylate
CID 112523914
methyl 5-[(2,4-dichlorophenyl)carbamoyl]-3,4-dihydro-1H-2,7-naphthyridine-2-carboxylate
CID 112523962
methyl 5-(pyrrolidine-1-carbonyl)-3,4-dihydro-1H-2,7-naphthyridine-2-carboxylate
CID 112530449
ethyl 5-[(5-methyl-1H-pyrazol-4-yl)carbamoyl]-3,4-dihydro-1H-2,7-naphthyridine-2-carboxylate
CID 112521742
5-N-(5-chloro-2-methylphenyl)-2-N,2-N-dimethyl-3,4-dihydro-1H-2,7-naphthyridine-2,5-dicarboxamide
CID 112523206
5-N-(3-chloro-2-methylphenyl)-2-N,2-N-dimethyl-3,4-dihydro-1H-2,7-naphthyridine-2,5-dicarboxamide
CID 112520617
ethyl 5-(1,3-benzoxazol-2-ylcarbamoyl)-3,4-dihydro-1H-2,7-naphthyridine-2-carboxylate
CID 112528189
methyl 5-[2-(4-methoxyphenyl)ethylcarbamoyl]-3,4-dihydro-1H-2,7-naphthyridine-2-carboxylate
CID 112528995
methyl 5-(2-morpholin-4-ylethylcarbamoyl)-3,4-dihydro-1H-2,7-naphthyridine-2-carboxylate
CID 112520313
methyl 5-[3-(2-aminoethyl)-2-methylindole-1-carbonyl]-3,4-dihydro-1H-2,7-naphthyridine-2-carboxylate
CID 112529749

Frequently Asked Questions

What is the IUPAC name of methyl 5-[(2-methylphenyl)carbamoyl]-3,4-dihydro-1H-2,7-naphthyridine-2-carboxylate?
The IUPAC name of methyl 5-[(2-methylphenyl)carbamoyl]-3,4-dihydro-1H-2,7-naphthyridine-2-carboxylate (CID 112520462) is methyl 5-[(2-methylphenyl)carbamoyl]-3,4-dihydro-1H-2,7-naphthyridine-2-carboxylate.
What is the SMILES notation for methyl 5-[(2-methylphenyl)carbamoyl]-3,4-dihydro-1H-2,7-naphthyridine-2-carboxylate?
The canonical SMILES for methyl 5-[(2-methylphenyl)carbamoyl]-3,4-dihydro-1H-2,7-naphthyridine-2-carboxylate is COC(=O)N1CCc2c(cncc2C(=O)Nc2ccccc2C)C1.
What is the InChIKey of methyl 5-[(2-methylphenyl)carbamoyl]-3,4-dihydro-1H-2,7-naphthyridine-2-carboxylate?
The InChIKey is JUIKIZOPPJSAAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O3/c1-12-5-3-4-6-16(12)20-17(22)15-10-19-9-13-11-21(18(23)24-2)8-7-14(13)15/h3-6,9-10H,7-8,11H2,1-2H3,(H,20,22).
What are the key properties of methyl 5-[(2-methylphenyl)carbamoyl]-3,4-dihydro-1H-2,7-naphthyridine-2-carboxylate?
methyl 5-[(2-methylphenyl)carbamoyl]-3,4-dihydro-1H-2,7-naphthyridine-2-carboxylate has a molecular weight of 325.37 g/mol, XLogP of 2.77, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[(2-methylphenyl)carbamoyl]-3,4-dihydro-1H-2,7-naphthyridine-2-carboxylate is sourced from PubChem (CID 112520462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).