propan-2-yl 1-benzyl-2-imino-6,7-dimethyl-5-oxo-1,6-naphthyridine-3-carboxylate

C21H23N3O3 — CID 10808832

IUPACpropan-2-yl 1-benzyl-2-imino-6,7-dimethyl-5-oxo-1,6-naphthyridine-3-carboxylate
SMILES[H]/N=c1\c(C(=O)OC(C)C)cc2c(=O)n(C)c(C)cc2n1Cc1ccccc1
InChIInChI=1S/C21H23N3O3/c1-13(2)27-21(26)17-11-16-18(10-14(3)23(4)20(16)25)24(19(17)22)12-15-8-6-5-7-9-15/h5-11,13,22H,12H2,1-4H3/b22-19+
InChIKeyLZTXNUZMVKTCRQ-ZBJSNUHESA-N
MW365.43 g/mol
LogP2.74
Rot. Bonds4

About propan-2-yl 1-benzyl-2-imino-6,7-dimethyl-5-oxo-1,6-naphthyridine-3-carboxylate

propan-2-yl 1-benzyl-2-imino-6,7-dimethyl-5-oxo-1,6-naphthyridine-3-carboxylate (PubChem CID 10808832) has the molecular formula C21H23N3O3 and a molecular weight of 365.43 g/mol. Its IUPAC name is propan-2-yl 1-benzyl-2-imino-6,7-dimethyl-5-oxo-1,6-naphthyridine-3-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 1-benzyl-2-imino-6,7-dimethyl-5-oxo-1,6-naphthyridine-3-carboxylate
PubChem CID10808832
Molecular FormulaC21H23N3O3
Molecular Weight365.43 g/mol
Exact Mass365.17
IUPAC Namepropan-2-yl 1-benzyl-2-imino-6,7-dimethyl-5-oxo-1,6-naphthyridine-3-carboxylate
SMILES[H]/N=c1\c(C(=O)OC(C)C)cc2c(=O)n(C)c(C)cc2n1Cc1ccccc1
InChIInChI=1S/C21H23N3O3/c1-13(2)27-21(26)17-11-16-18(10-14(3)23(4)20(16)25)24(19(17)22)12-15-8-6-5-7-9-15/h5-11,13,22H,12H2,1-4H3/b22-19+
InChIKeyLZTXNUZMVKTCRQ-ZBJSNUHESA-N
XLogP2.74
TPSA77.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1,6-dibenzyl-2-imino-7-methyl-5-oxo-1,6-naphthyridine-3-carboxylic acid
CID 15316729
1-benzyl-2-imino-7-methyl-5-oxo-6-(2-phenylethyl)-1,6-naphthyridine-3-carbonitrile
CID 23238625
ethyl 7-benzyl-6-imino-2-oxo-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxylate
CID 651615
ethyl 7-benzyl-6-imino-13-methyl-2-oxo-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxylate
CID 989075
7-benzyl-6-imino-11-methyl-2-oxo-N-propan-2-yl-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide
CID 3743585
ethyl 7-[(4-fluorophenyl)methyl]-6-imino-2-oxo-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxylate
CID 4555420
methyl 7-[(4-fluorophenyl)methyl]-6-imino-2-oxo-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxylate
CID 4256936
7-(cyclodecapentaenylmethyl)-6-imino-2-oxo-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide
CID 166798239
7-benzyl-N-[(4-fluorophenyl)methyl]-6-imino-11-methyl-2-oxo-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide
CID 3879041
[(2S)-1-oxo-1-(propan-2-ylamino)propan-2-yl] 1-benzyl-2,5-dimethylpyrrole-3-carboxylate
CID 8672425
1-benzyl-3,6-dimethyl-2-oxopyridine-4-carboxylic acid
CID 59067461
propan-2-yl 4-[(3,5-diphenyl-1,2,4-triazol-4-yl)methyl]benzoate
CID 2214445

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 1-benzyl-2-imino-6,7-dimethyl-5-oxo-1,6-naphthyridine-3-carboxylate?
The IUPAC name of propan-2-yl 1-benzyl-2-imino-6,7-dimethyl-5-oxo-1,6-naphthyridine-3-carboxylate (CID 10808832) is propan-2-yl 1-benzyl-2-imino-6,7-dimethyl-5-oxo-1,6-naphthyridine-3-carboxylate.
What is the SMILES notation for propan-2-yl 1-benzyl-2-imino-6,7-dimethyl-5-oxo-1,6-naphthyridine-3-carboxylate?
The canonical SMILES for propan-2-yl 1-benzyl-2-imino-6,7-dimethyl-5-oxo-1,6-naphthyridine-3-carboxylate is [H]/N=c1\c(C(=O)OC(C)C)cc2c(=O)n(C)c(C)cc2n1Cc1ccccc1.
What is the InChIKey of propan-2-yl 1-benzyl-2-imino-6,7-dimethyl-5-oxo-1,6-naphthyridine-3-carboxylate?
The InChIKey is LZTXNUZMVKTCRQ-ZBJSNUHESA-N. The full InChI is InChI=1S/C21H23N3O3/c1-13(2)27-21(26)17-11-16-18(10-14(3)23(4)20(16)25)24(19(17)22)12-15-8-6-5-7-9-15/h5-11,13,22H,12H2,1-4H3/b22-19+.
What are the key properties of propan-2-yl 1-benzyl-2-imino-6,7-dimethyl-5-oxo-1,6-naphthyridine-3-carboxylate?
propan-2-yl 1-benzyl-2-imino-6,7-dimethyl-5-oxo-1,6-naphthyridine-3-carboxylate has a molecular weight of 365.43 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 1-benzyl-2-imino-6,7-dimethyl-5-oxo-1,6-naphthyridine-3-carboxylate is sourced from PubChem (CID 10808832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).