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

C23H21N3O4 — CID 112523914

IUPACmethyl 5-[(4-phenoxyphenyl)carbamoyl]-3,4-dihydro-1H-2,7-naphthyridine-2-carboxylate
SMILESCOC(=O)N1CCc2c(cncc2C(=O)Nc2ccc(Oc3ccccc3)cc2)C1
InChIInChI=1S/C23H21N3O4/c1-29-23(28)26-12-11-20-16(15-26)13-24-14-21(20)22(27)25-17-7-9-19(10-8-17)30-18-5-3-2-4-6-18/h2-10,13-14H,11-12,15H2,1H3,(H,25,27)
InChIKeyPFZJIKRBMZQGEE-UHFFFAOYSA-N
MW403.44 g/mol
LogP4.25
Rot. Bonds4

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

methyl 5-[(4-phenoxyphenyl)carbamoyl]-3,4-dihydro-1H-2,7-naphthyridine-2-carboxylate (PubChem CID 112523914) has the molecular formula C23H21N3O4 and a molecular weight of 403.44 g/mol. Its IUPAC name is methyl 5-[(4-phenoxyphenyl)carbamoyl]-3,4-dihydro-1H-2,7-naphthyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-[(4-phenoxyphenyl)carbamoyl]-3,4-dihydro-1H-2,7-naphthyridine-2-carboxylate
PubChem CID112523914
Molecular FormulaC23H21N3O4
Molecular Weight403.44 g/mol
Exact Mass403.15
IUPAC Namemethyl 5-[(4-phenoxyphenyl)carbamoyl]-3,4-dihydro-1H-2,7-naphthyridine-2-carboxylate
SMILESCOC(=O)N1CCc2c(cncc2C(=O)Nc2ccc(Oc3ccccc3)cc2)C1
InChIInChI=1S/C23H21N3O4/c1-29-23(28)26-12-11-20-16(15-26)13-24-14-21(20)22(27)25-17-7-9-19(10-8-17)30-18-5-3-2-4-6-18/h2-10,13-14H,11-12,15H2,1H3,(H,25,27)
InChIKeyPFZJIKRBMZQGEE-UHFFFAOYSA-N
XLogP4.25
TPSA80.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.44
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 5-[(2-methylphenyl)carbamoyl]-3,4-dihydro-1H-2,7-naphthyridine-2-carboxylate
CID 112520462
7-acetyl-N-(4-methylphenyl)-6,8-dihydro-5H-2,7-naphthyridine-4-carboxamide
CID 112521061
methyl 5-[(2,4-dichlorophenyl)carbamoyl]-3,4-dihydro-1H-2,7-naphthyridine-2-carboxylate
CID 112523962
7-acetyl-N-(4-chlorophenyl)-6,8-dihydro-5H-2,7-naphthyridine-4-carboxamide
CID 112521021
methyl 5-[2-(4-methoxyphenyl)ethylcarbamoyl]-3,4-dihydro-1H-2,7-naphthyridine-2-carboxylate
CID 112528995
7-acetyl-N-(4-ethylphenyl)-6,8-dihydro-5H-2,7-naphthyridine-4-carboxamide
CID 112524044
methyl 7-[(2-phenoxybenzoyl)amino]-3,4-dihydro-1H-isoquinoline-2-carboxylate
CID 121034862
ethyl 5-[(2,3-dimethylphenyl)carbamoyl]-3,4-dihydro-1H-2,7-naphthyridine-2-carboxylate
CID 112522574
methyl 5-(2-morpholin-4-ylethylcarbamoyl)-3,4-dihydro-1H-2,7-naphthyridine-2-carboxylate
CID 112520313
ethyl 5-[(4-methoxyphenyl)methylcarbamoyl]-3,4-dihydro-1H-2,7-naphthyridine-2-carboxylate
CID 112522018
ethyl 5-(1,3-benzoxazol-2-ylcarbamoyl)-3,4-dihydro-1H-2,7-naphthyridine-2-carboxylate
CID 112528189
7-acetyl-N-(2,3-dimethylphenyl)-6,8-dihydro-5H-2,7-naphthyridine-4-carboxamide
CID 112522571

Frequently Asked Questions

What is the IUPAC name of methyl 5-[(4-phenoxyphenyl)carbamoyl]-3,4-dihydro-1H-2,7-naphthyridine-2-carboxylate?
The IUPAC name of methyl 5-[(4-phenoxyphenyl)carbamoyl]-3,4-dihydro-1H-2,7-naphthyridine-2-carboxylate (CID 112523914) is methyl 5-[(4-phenoxyphenyl)carbamoyl]-3,4-dihydro-1H-2,7-naphthyridine-2-carboxylate.
What is the SMILES notation for methyl 5-[(4-phenoxyphenyl)carbamoyl]-3,4-dihydro-1H-2,7-naphthyridine-2-carboxylate?
The canonical SMILES for methyl 5-[(4-phenoxyphenyl)carbamoyl]-3,4-dihydro-1H-2,7-naphthyridine-2-carboxylate is COC(=O)N1CCc2c(cncc2C(=O)Nc2ccc(Oc3ccccc3)cc2)C1.
What is the InChIKey of methyl 5-[(4-phenoxyphenyl)carbamoyl]-3,4-dihydro-1H-2,7-naphthyridine-2-carboxylate?
The InChIKey is PFZJIKRBMZQGEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O4/c1-29-23(28)26-12-11-20-16(15-26)13-24-14-21(20)22(27)25-17-7-9-19(10-8-17)30-18-5-3-2-4-6-18/h2-10,13-14H,11-12,15H2,1H3,(H,25,27).
What are the key properties of methyl 5-[(4-phenoxyphenyl)carbamoyl]-3,4-dihydro-1H-2,7-naphthyridine-2-carboxylate?
methyl 5-[(4-phenoxyphenyl)carbamoyl]-3,4-dihydro-1H-2,7-naphthyridine-2-carboxylate has a molecular weight of 403.44 g/mol, XLogP of 4.25, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[(4-phenoxyphenyl)carbamoyl]-3,4-dihydro-1H-2,7-naphthyridine-2-carboxylate is sourced from PubChem (CID 112523914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).