N-[(E)-(7-methyl-2,3-dihydro-1H-1,8-naphthyridin-4-ylidene)amino]-4-nitroaniline

C15H15N5O2 — CID 135712949

IUPACN-[(E)-(7-methyl-2,3-dihydro-1H-1,8-naphthyridin-4-ylidene)amino]-4-nitroaniline
SMILESCc1ccc2c(n1)NCC/C2=N\Nc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C15H15N5O2/c1-10-2-7-13-14(8-9-16-15(13)17-10)19-18-11-3-5-12(6-4-11)20(21)22/h2-7,18H,8-9H2,1H3,(H,16,17)/b19-14+
InChIKeyGLVDCOFAYRXWCJ-XMHGGMMESA-N
MW297.32 g/mol
LogP2.93
Rot. Bonds3

About N-[(E)-(7-methyl-2,3-dihydro-1H-1,8-naphthyridin-4-ylidene)amino]-4-nitroaniline

N-[(E)-(7-methyl-2,3-dihydro-1H-1,8-naphthyridin-4-ylidene)amino]-4-nitroaniline (PubChem CID 135712949) has the molecular formula C15H15N5O2 and a molecular weight of 297.32 g/mol. Its IUPAC name is N-[(E)-(7-methyl-2,3-dihydro-1H-1,8-naphthyridin-4-ylidene)amino]-4-nitroaniline.

Molecular Properties

Compound NameN-[(E)-(7-methyl-2,3-dihydro-1H-1,8-naphthyridin-4-ylidene)amino]-4-nitroaniline
PubChem CID135712949
Molecular FormulaC15H15N5O2
Molecular Weight297.32 g/mol
Exact Mass297.12
IUPAC NameN-[(E)-(7-methyl-2,3-dihydro-1H-1,8-naphthyridin-4-ylidene)amino]-4-nitroaniline
SMILESCc1ccc2c(n1)NCC/C2=N\Nc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C15H15N5O2/c1-10-2-7-13-14(8-9-16-15(13)17-10)19-18-11-3-5-12(6-4-11)20(21)22/h2-7,18H,8-9H2,1H3,(H,16,17)/b19-14+
InChIKeyGLVDCOFAYRXWCJ-XMHGGMMESA-N
XLogP2.93
TPSA92.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.32
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(Z)-2,3-dihydrochromen-4-ylideneamino]-4-nitroaniline
CID 101015123
N-[(E)-(15-methyl-14-thiabicyclo[11.3.0]hexadeca-1(13),15-dien-2-ylidene)amino]-4-nitroaniline
CID 42648088
N-[(8-methyl-2,3-dihydro-1H-quinolin-4-ylidene)amino]-2,4-dinitroaniline
CID 165344798
(3Z)-3-[(4-nitrophenyl)hydrazinylidene]inden-1-one
CID 6251364
N-(cyclohexylideneamino)-4-nitroaniline
CID 616169
N-[(6-chloro-2,3-dihydrothiochromen-4-ylidene)amino]-4-nitroaniline
CID 2741143
3-methyl-4-[(4-nitrophenyl)hydrazinylidene]-6,7-dihydro-5H-1-benzofuran-2-carboxylate
CID 4861025
potassium (4E)-3-methyl-4-[(4-nitrophenyl)hydrazinylidene]-6,7-dihydro-5H-1-benzofuran-2-carboxylate
CID 19159209
ethyl 3-methyl-4-[(4-nitrophenyl)hydrazinylidene]-6,7-dihydro-5H-1-benzofuran-2-carboxylate
CID 5112603
propan-2-yl (4E)-3-methyl-4-[(4-nitrophenyl)hydrazinylidene]-6,7-dihydro-5H-1-benzofuran-2-carboxylate
CID 19159240
(3E)-4,4-dimethyl-3-[(4-nitrophenyl)hydrazinylidene]oxolan-2-one
CID 5337667
(4E)-N-cyclohexyl-3-methyl-4-[(4-nitrophenyl)hydrazinylidene]-6,7-dihydro-5H-1-benzofuran-2-carboxamide
CID 19159138

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(7-methyl-2,3-dihydro-1H-1,8-naphthyridin-4-ylidene)amino]-4-nitroaniline?
The IUPAC name of N-[(E)-(7-methyl-2,3-dihydro-1H-1,8-naphthyridin-4-ylidene)amino]-4-nitroaniline (CID 135712949) is N-[(E)-(7-methyl-2,3-dihydro-1H-1,8-naphthyridin-4-ylidene)amino]-4-nitroaniline.
What is the SMILES notation for N-[(E)-(7-methyl-2,3-dihydro-1H-1,8-naphthyridin-4-ylidene)amino]-4-nitroaniline?
The canonical SMILES for N-[(E)-(7-methyl-2,3-dihydro-1H-1,8-naphthyridin-4-ylidene)amino]-4-nitroaniline is Cc1ccc2c(n1)NCC/C2=N\Nc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of N-[(E)-(7-methyl-2,3-dihydro-1H-1,8-naphthyridin-4-ylidene)amino]-4-nitroaniline?
The InChIKey is GLVDCOFAYRXWCJ-XMHGGMMESA-N. The full InChI is InChI=1S/C15H15N5O2/c1-10-2-7-13-14(8-9-16-15(13)17-10)19-18-11-3-5-12(6-4-11)20(21)22/h2-7,18H,8-9H2,1H3,(H,16,17)/b19-14+.
What are the key properties of N-[(E)-(7-methyl-2,3-dihydro-1H-1,8-naphthyridin-4-ylidene)amino]-4-nitroaniline?
N-[(E)-(7-methyl-2,3-dihydro-1H-1,8-naphthyridin-4-ylidene)amino]-4-nitroaniline has a molecular weight of 297.32 g/mol, XLogP of 2.93, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(7-methyl-2,3-dihydro-1H-1,8-naphthyridin-4-ylidene)amino]-4-nitroaniline is sourced from PubChem (CID 135712949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).