3-methoxy-N-(6-methyl-2-phenylbenzotriazol-5-yl)naphthalene-2-carboxamide

C25H20N4O2 — CID 1345807

IUPAC3-methoxy-N-(6-methyl-2-phenylbenzotriazol-5-yl)naphthalene-2-carboxamide
SMILESCOc1cc2ccccc2cc1C(=O)Nc1cc2nn(-c3ccccc3)nc2cc1C
InChIInChI=1S/C25H20N4O2/c1-16-12-22-23(28-29(27-22)19-10-4-3-5-11-19)15-21(16)26-25(30)20-13-17-8-6-7-9-18(17)14-24(20)31-2/h3-15H,1-2H3,(H,26,30)
InChIKeyKTKRLFWPXGDCPF-UHFFFAOYSA-N
MW408.46 g/mol
LogP5.14
Rot. Bonds4

About 3-methoxy-N-(6-methyl-2-phenylbenzotriazol-5-yl)naphthalene-2-carboxamide

3-methoxy-N-(6-methyl-2-phenylbenzotriazol-5-yl)naphthalene-2-carboxamide (PubChem CID 1345807) has the molecular formula C25H20N4O2 and a molecular weight of 408.46 g/mol. Its IUPAC name is 3-methoxy-N-(6-methyl-2-phenylbenzotriazol-5-yl)naphthalene-2-carboxamide.

Molecular Properties

Compound Name3-methoxy-N-(6-methyl-2-phenylbenzotriazol-5-yl)naphthalene-2-carboxamide
PubChem CID1345807
Molecular FormulaC25H20N4O2
Molecular Weight408.46 g/mol
Exact Mass408.16
IUPAC Name3-methoxy-N-(6-methyl-2-phenylbenzotriazol-5-yl)naphthalene-2-carboxamide
SMILESCOc1cc2ccccc2cc1C(=O)Nc1cc2nn(-c3ccccc3)nc2cc1C
InChIInChI=1S/C25H20N4O2/c1-16-12-22-23(28-29(27-22)19-10-4-3-5-11-19)15-21(16)26-25(30)20-13-17-8-6-7-9-18(17)14-24(20)31-2/h3-15H,1-2H3,(H,26,30)
InChIKeyKTKRLFWPXGDCPF-UHFFFAOYSA-N
XLogP5.14
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.46
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[2-[4-(diethylamino)phenyl]-6-methylbenzotriazol-5-yl]carbamothioyl]-3-methoxynaphthalene-2-carboxamide
CID 21168897
3-bromo-4-methoxy-N-(6-methyl-2-phenylbenzotriazol-5-yl)benzamide
CID 21212064
N-[2-(4-methoxyphenyl)-6-methylbenzotriazol-5-yl]-3,4-dimethylbenzamide
CID 1316133
3-methoxy-N-[2-(4-methoxyphenyl)-6-methylbenzotriazol-5-yl]benzamide
CID 1204224
5-chloro-2-methoxy-N-(6-methyl-2-naphthalen-1-ylbenzotriazol-5-yl)benzamide
CID 22781544
2-chloro-5-iodo-N-[2-(4-methoxyphenyl)-6-methylbenzotriazol-5-yl]benzamide
CID 1345445
N-[2-(4-methoxyphenyl)-6-methylbenzotriazol-5-yl]-4-methylbenzamide
CID 2889295
3-methoxy-N-[5-[(3-methoxynaphthalene-2-carbonyl)amino]naphthalen-1-yl]naphthalene-2-carboxamide
CID 5082580
N-(4-fluoro-2-methylphenyl)-3-methoxynaphthalene-2-carboxamide
CID 7924533
N-[2-(4-methoxyphenyl)-6-methylbenzotriazol-5-yl]-2-phenoxyacetamide
CID 1004471
2-iodo-N-[6-methyl-2-(4-methylphenyl)benzotriazol-5-yl]benzamide
CID 1370817
3-bromo-N-(6-methyl-2-phenylbenzotriazol-5-yl)benzamide
CID 1348241

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-(6-methyl-2-phenylbenzotriazol-5-yl)naphthalene-2-carboxamide?
The IUPAC name of 3-methoxy-N-(6-methyl-2-phenylbenzotriazol-5-yl)naphthalene-2-carboxamide (CID 1345807) is 3-methoxy-N-(6-methyl-2-phenylbenzotriazol-5-yl)naphthalene-2-carboxamide.
What is the SMILES notation for 3-methoxy-N-(6-methyl-2-phenylbenzotriazol-5-yl)naphthalene-2-carboxamide?
The canonical SMILES for 3-methoxy-N-(6-methyl-2-phenylbenzotriazol-5-yl)naphthalene-2-carboxamide is COc1cc2ccccc2cc1C(=O)Nc1cc2nn(-c3ccccc3)nc2cc1C.
What is the InChIKey of 3-methoxy-N-(6-methyl-2-phenylbenzotriazol-5-yl)naphthalene-2-carboxamide?
The InChIKey is KTKRLFWPXGDCPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N4O2/c1-16-12-22-23(28-29(27-22)19-10-4-3-5-11-19)15-21(16)26-25(30)20-13-17-8-6-7-9-18(17)14-24(20)31-2/h3-15H,1-2H3,(H,26,30).
What are the key properties of 3-methoxy-N-(6-methyl-2-phenylbenzotriazol-5-yl)naphthalene-2-carboxamide?
3-methoxy-N-(6-methyl-2-phenylbenzotriazol-5-yl)naphthalene-2-carboxamide has a molecular weight of 408.46 g/mol, XLogP of 5.14, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-(6-methyl-2-phenylbenzotriazol-5-yl)naphthalene-2-carboxamide is sourced from PubChem (CID 1345807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).