N-[(Z)-naphthalen-2-ylmethylideneamino]-2-pyrido[3,4-b]indol-9-ylacetamide

C24H18N4O — CID 155807459

IUPACN-[(Z)-naphthalen-2-ylmethylideneamino]-2-pyrido[3,4-b]indol-9-ylacetamide
SMILESO=C(Cn1c2ccccc2c2ccncc21)N/N=C\c1ccc2ccccc2c1
InChIInChI=1S/C24H18N4O/c29-24(27-26-14-17-9-10-18-5-1-2-6-19(18)13-17)16-28-22-8-4-3-7-20(22)21-11-12-25-15-23(21)28/h1-15H,16H2,(H,27,29)/b26-14-
InChIKeyJNIXTYCBOKPQIN-WGARJPEWSA-N
MW378.44 g/mol
LogP4.49
Rot. Bonds4

About N-[(Z)-naphthalen-2-ylmethylideneamino]-2-pyrido[3,4-b]indol-9-ylacetamide

N-[(Z)-naphthalen-2-ylmethylideneamino]-2-pyrido[3,4-b]indol-9-ylacetamide (PubChem CID 155807459) has the molecular formula C24H18N4O and a molecular weight of 378.44 g/mol. Its IUPAC name is N-[(Z)-naphthalen-2-ylmethylideneamino]-2-pyrido[3,4-b]indol-9-ylacetamide.

Molecular Properties

Compound NameN-[(Z)-naphthalen-2-ylmethylideneamino]-2-pyrido[3,4-b]indol-9-ylacetamide
PubChem CID155807459
Molecular FormulaC24H18N4O
Molecular Weight378.44 g/mol
Exact Mass378.15
IUPAC NameN-[(Z)-naphthalen-2-ylmethylideneamino]-2-pyrido[3,4-b]indol-9-ylacetamide
SMILESO=C(Cn1c2ccccc2c2ccncc21)N/N=C\c1ccc2ccccc2c1
InChIInChI=1S/C24H18N4O/c29-24(27-26-14-17-9-10-18-5-1-2-6-19(18)13-17)16-28-22-8-4-3-7-20(22)21-11-12-25-15-23(21)28/h1-15H,16H2,(H,27,29)/b26-14-
InChIKeyJNIXTYCBOKPQIN-WGARJPEWSA-N
XLogP4.49
TPSA59.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.44
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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,N'-bis(naphthalen-2-ylmethylideneamino)pentanediamide
CID 2250679
N-[(E)-(3-hydroxyphenyl)methylideneamino]-2-(9-oxoacridin-10-yl)acetamide
CID 75123865
N-[(Z)-(3-hydroxyphenyl)methylideneamino]-2-(9-oxoacridin-10-yl)acetamide
CID 98005160
N-[(Z)-(3-bromophenyl)methylideneamino]-2-(9-oxoacridin-10-yl)acetamide
CID 98005141
N-[(3,5-dibromo-4-hydroxyphenyl)methylideneamino]-2-(9-oxoacridin-10-yl)acetamide
CID 135900957
N-[(Z)-naphthalen-2-ylmethylideneamino]pyridine-3-carboxamide
CID 5399469
N-[(Z)-(4-tert-butylphenyl)methylideneamino]-2-(9-oxoacridin-10-yl)acetamide
CID 6381487
2-cyano-N-[(Z)-naphthalen-2-ylmethylideneamino]acetamide
CID 6048140
2-(9-oxoacridin-10-yl)-N-[(4-prop-2-enoxyphenyl)methylideneamino]acetamide
CID 91970082
N'-[(E)-naphthalen-2-ylmethylideneamino]-N-pyridin-4-yloxamide
CID 154631892
N'-[(E)-naphthalen-2-ylmethylideneamino]-N-pyridin-3-yloxamide
CID 154631889
7-[(2E)-2-(naphthalen-2-ylmethylidene)hydrazinyl]-7-oxoheptanoic acid
CID 23778466

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-naphthalen-2-ylmethylideneamino]-2-pyrido[3,4-b]indol-9-ylacetamide?
The IUPAC name of N-[(Z)-naphthalen-2-ylmethylideneamino]-2-pyrido[3,4-b]indol-9-ylacetamide (CID 155807459) is N-[(Z)-naphthalen-2-ylmethylideneamino]-2-pyrido[3,4-b]indol-9-ylacetamide.
What is the SMILES notation for N-[(Z)-naphthalen-2-ylmethylideneamino]-2-pyrido[3,4-b]indol-9-ylacetamide?
The canonical SMILES for N-[(Z)-naphthalen-2-ylmethylideneamino]-2-pyrido[3,4-b]indol-9-ylacetamide is O=C(Cn1c2ccccc2c2ccncc21)N/N=C\c1ccc2ccccc2c1.
What is the InChIKey of N-[(Z)-naphthalen-2-ylmethylideneamino]-2-pyrido[3,4-b]indol-9-ylacetamide?
The InChIKey is JNIXTYCBOKPQIN-WGARJPEWSA-N. The full InChI is InChI=1S/C24H18N4O/c29-24(27-26-14-17-9-10-18-5-1-2-6-19(18)13-17)16-28-22-8-4-3-7-20(22)21-11-12-25-15-23(21)28/h1-15H,16H2,(H,27,29)/b26-14-.
What are the key properties of N-[(Z)-naphthalen-2-ylmethylideneamino]-2-pyrido[3,4-b]indol-9-ylacetamide?
N-[(Z)-naphthalen-2-ylmethylideneamino]-2-pyrido[3,4-b]indol-9-ylacetamide has a molecular weight of 378.44 g/mol, XLogP of 4.49, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-naphthalen-2-ylmethylideneamino]-2-pyrido[3,4-b]indol-9-ylacetamide is sourced from PubChem (CID 155807459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).