2-methyl-N-[(Z)-naphthalen-1-ylmethylideneamino]furan-3-carboxamide

C17H14N2O2 — CID 5402054

IUPAC2-methyl-N-[(Z)-naphthalen-1-ylmethylideneamino]furan-3-carboxamide
SMILESCc1occc1C(=O)N/N=C\c1cccc2ccccc12
InChIInChI=1S/C17H14N2O2/c1-12-15(9-10-21-12)17(20)19-18-11-14-7-4-6-13-5-2-3-8-16(13)14/h2-11H,1H3,(H,19,20)/b18-11-
InChIKeyDSESAYNXBASOEQ-WQRHYEAKSA-N
MW278.31 g/mol
LogP3.51
Rot. Bonds3

About 2-methyl-N-[(Z)-naphthalen-1-ylmethylideneamino]furan-3-carboxamide

2-methyl-N-[(Z)-naphthalen-1-ylmethylideneamino]furan-3-carboxamide (PubChem CID 5402054) has the molecular formula C17H14N2O2 and a molecular weight of 278.31 g/mol. Its IUPAC name is 2-methyl-N-[(Z)-naphthalen-1-ylmethylideneamino]furan-3-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[(Z)-naphthalen-1-ylmethylideneamino]furan-3-carboxamide
PubChem CID5402054
Molecular FormulaC17H14N2O2
Molecular Weight278.31 g/mol
Exact Mass278.11
IUPAC Name2-methyl-N-[(Z)-naphthalen-1-ylmethylideneamino]furan-3-carboxamide
SMILESCc1occc1C(=O)N/N=C\c1cccc2ccccc12
InChIInChI=1S/C17H14N2O2/c1-12-15(9-10-21-12)17(20)19-18-11-14-7-4-6-13-5-2-3-8-16(13)14/h2-11H,1H3,(H,19,20)/b18-11-
InChIKeyDSESAYNXBASOEQ-WQRHYEAKSA-N
XLogP3.51
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(Z)-(2-fluorophenyl)methylideneamino]-2-methylfuran-3-carboxamide
CID 5402053
N-[(4-methoxynaphthalen-1-yl)methylideneamino]-2-methylfuran-3-carboxamide
CID 932462
N-[(Z)-(2-ethoxynaphthalen-1-yl)methylideneamino]-2-methylfuran-3-carboxamide
CID 9359476
2-methyl-N-[(Z)-(2-nitrophenyl)methylideneamino]furan-3-carboxamide
CID 5403994
N-[(Z)-naphthalen-1-ylmethylideneamino]benzamide
CID 5397614
2,5-dihydroxy-N-[(E)-naphthalen-1-ylmethylideneamino]benzamide
CID 17126515
N-[(Z)-[1-(2-amino-2-oxoethyl)indol-3-yl]methylideneamino]-2-methylfuran-3-carboxamide
CID 6372429
2-methyl-N-[(2,3,4-trimethoxyphenyl)methylideneamino]furan-3-carboxamide
CID 847605
4-hydroxy-N-[(Z)-naphthalen-1-ylmethylideneamino]benzamide
CID 5406601
2-methyl-N-[(E)-[4-(naphthalen-1-ylamino)-4-oxobutan-2-ylidene]amino]furan-3-carboxamide
CID 5343180
N-[(Z)-(4-hydroxyphenyl)methylideneamino]-2-methylfuran-3-carboxamide
CID 135781724
2-methyl-N-[(5-methylthiophen-2-yl)methylideneamino]furan-3-carboxamide
CID 761677

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(Z)-naphthalen-1-ylmethylideneamino]furan-3-carboxamide?
The IUPAC name of 2-methyl-N-[(Z)-naphthalen-1-ylmethylideneamino]furan-3-carboxamide (CID 5402054) is 2-methyl-N-[(Z)-naphthalen-1-ylmethylideneamino]furan-3-carboxamide.
What is the SMILES notation for 2-methyl-N-[(Z)-naphthalen-1-ylmethylideneamino]furan-3-carboxamide?
The canonical SMILES for 2-methyl-N-[(Z)-naphthalen-1-ylmethylideneamino]furan-3-carboxamide is Cc1occc1C(=O)N/N=C\c1cccc2ccccc12.
What is the InChIKey of 2-methyl-N-[(Z)-naphthalen-1-ylmethylideneamino]furan-3-carboxamide?
The InChIKey is DSESAYNXBASOEQ-WQRHYEAKSA-N. The full InChI is InChI=1S/C17H14N2O2/c1-12-15(9-10-21-12)17(20)19-18-11-14-7-4-6-13-5-2-3-8-16(13)14/h2-11H,1H3,(H,19,20)/b18-11-.
What are the key properties of 2-methyl-N-[(Z)-naphthalen-1-ylmethylideneamino]furan-3-carboxamide?
2-methyl-N-[(Z)-naphthalen-1-ylmethylideneamino]furan-3-carboxamide has a molecular weight of 278.31 g/mol, XLogP of 3.51, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(Z)-naphthalen-1-ylmethylideneamino]furan-3-carboxamide is sourced from PubChem (CID 5402054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).