N-[(E)-(1-methylpyrrol-2-yl)methylideneamino]-2-(naphthalen-1-ylamino)acetamide

C18H18N4O — CID 6887135

IUPACN-[(E)-(1-methylpyrrol-2-yl)methylideneamino]-2-(naphthalen-1-ylamino)acetamide
SMILESCn1cccc1/C=N/NC(=O)CNc1cccc2ccccc12
InChIInChI=1S/C18H18N4O/c1-22-11-5-8-15(22)12-20-21-18(23)13-19-17-10-4-7-14-6-2-3-9-16(14)17/h2-12,19H,13H2,1H3,(H,21,23)/b20-12+
InChIKeyUTNXQIIIVJUOPU-UDWIEESQSA-N
MW306.37 g/mol
LogP2.74
Rot. Bonds5

About N-[(E)-(1-methylpyrrol-2-yl)methylideneamino]-2-(naphthalen-1-ylamino)acetamide

N-[(E)-(1-methylpyrrol-2-yl)methylideneamino]-2-(naphthalen-1-ylamino)acetamide (PubChem CID 6887135) has the molecular formula C18H18N4O and a molecular weight of 306.37 g/mol. Its IUPAC name is N-[(E)-(1-methylpyrrol-2-yl)methylideneamino]-2-(naphthalen-1-ylamino)acetamide.

Molecular Properties

Compound NameN-[(E)-(1-methylpyrrol-2-yl)methylideneamino]-2-(naphthalen-1-ylamino)acetamide
PubChem CID6887135
Molecular FormulaC18H18N4O
Molecular Weight306.37 g/mol
Exact Mass306.15
IUPAC NameN-[(E)-(1-methylpyrrol-2-yl)methylideneamino]-2-(naphthalen-1-ylamino)acetamide
SMILESCn1cccc1/C=N/NC(=O)CNc1cccc2ccccc12
InChIInChI=1S/C18H18N4O/c1-22-11-5-8-15(22)12-20-21-18(23)13-19-17-10-4-7-14-6-2-3-9-16(14)17/h2-12,19H,13H2,1H3,(H,21,23)/b20-12+
InChIKeyUTNXQIIIVJUOPU-UDWIEESQSA-N
XLogP2.74
TPSA58.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_pyrrol(64)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(naphthalen-2-ylamino)-N-[(E)-pyridin-2-ylmethylideneamino]acetamide
CID 6885425
2-(1-methyl-1H-pyrrol-2-yl)-N'-[(1Z)-1-(naphthalen-2-yl)ethylidene]acetohydrazide
CID 7412007
N'-(2,3-dimethylphenyl)-N-[2-(1H-indol-3-yl)ethyl]oxamide
CID 5183012
2-(3-methylanilino)-N-[(Z)-(1-methylpyrrol-2-yl)methylideneamino]acetamide
CID 5424632
2-cyano-N'-{(E)-[1-(naphthalen-1-ylmethyl)-1H-indol-3-yl]methylidene}acetohydrazide
CID 6883466
2-cyano-N-[(E)-[1-[(2-cyanophenyl)methyl]indol-3-yl]methylideneamino]acetamide
CID 6884595
2-(2-naphthylamino)-N-[(E)-4-pyridylmethyleneamino]propionamide
CID 9655973
(Z)-N'-((1H-pyrrol-2-yl)methylene)-2-(p-tolylamino)acetohydrazide
CID 135515673
2-(naphthalen-1-ylamino)-N'-[(E)-1H-pyrrol-2-ylmethylidene]acetohydrazide (non-preferred name)
CID 135641793
2-(3-methylanilino)-N-[(Z)-1H-pyrrol-2-ylmethylideneamino]acetamide
CID 135845995
methyl (2E)-2-{[2,5-dimethyl-1-(naphthalen-1-yl)-1H-pyrrol-3-yl]methylidene}hydrazinecarboxylate
CID 6883662
(E)-2-(1-methyl-1H-pyrrol-2-yl)-N'-(naphthalen-1-ylmethylene)acetohydrazide
CID 6884007

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(1-methylpyrrol-2-yl)methylideneamino]-2-(naphthalen-1-ylamino)acetamide?
The IUPAC name of N-[(E)-(1-methylpyrrol-2-yl)methylideneamino]-2-(naphthalen-1-ylamino)acetamide (CID 6887135) is N-[(E)-(1-methylpyrrol-2-yl)methylideneamino]-2-(naphthalen-1-ylamino)acetamide.
What is the SMILES notation for N-[(E)-(1-methylpyrrol-2-yl)methylideneamino]-2-(naphthalen-1-ylamino)acetamide?
The canonical SMILES for N-[(E)-(1-methylpyrrol-2-yl)methylideneamino]-2-(naphthalen-1-ylamino)acetamide is Cn1cccc1/C=N/NC(=O)CNc1cccc2ccccc12.
What is the InChIKey of N-[(E)-(1-methylpyrrol-2-yl)methylideneamino]-2-(naphthalen-1-ylamino)acetamide?
The InChIKey is UTNXQIIIVJUOPU-UDWIEESQSA-N. The full InChI is InChI=1S/C18H18N4O/c1-22-11-5-8-15(22)12-20-21-18(23)13-19-17-10-4-7-14-6-2-3-9-16(14)17/h2-12,19H,13H2,1H3,(H,21,23)/b20-12+.
What are the key properties of N-[(E)-(1-methylpyrrol-2-yl)methylideneamino]-2-(naphthalen-1-ylamino)acetamide?
N-[(E)-(1-methylpyrrol-2-yl)methylideneamino]-2-(naphthalen-1-ylamino)acetamide has a molecular weight of 306.37 g/mol, XLogP of 2.74, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(1-methylpyrrol-2-yl)methylideneamino]-2-(naphthalen-1-ylamino)acetamide is sourced from PubChem (CID 6887135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).