N-[(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)methylideneamino]-3-methoxynaphthalene-2-carboxamide

C22H25N3O2 — CID 3389897

IUPACN-[(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)methylideneamino]-3-methoxynaphthalene-2-carboxamide
SMILESCOc1cc2ccccc2cc1C(=O)NN=Cc1cc(C)n(C(C)C)c1C
InChIInChI=1S/C22H25N3O2/c1-14(2)25-15(3)10-19(16(25)4)13-23-24-22(26)20-11-17-8-6-7-9-18(17)12-21(20)27-5/h6-14H,1-5H3,(H,24,26)
InChIKeyJTBSQIVJYDUIAD-UHFFFAOYSA-N
MW363.46 g/mol
LogP4.61
Rot. Bonds5

About N-[(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)methylideneamino]-3-methoxynaphthalene-2-carboxamide

N-[(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)methylideneamino]-3-methoxynaphthalene-2-carboxamide (PubChem CID 3389897) has the molecular formula C22H25N3O2 and a molecular weight of 363.46 g/mol. Its IUPAC name is N-[(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)methylideneamino]-3-methoxynaphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)methylideneamino]-3-methoxynaphthalene-2-carboxamide
PubChem CID3389897
Molecular FormulaC22H25N3O2
Molecular Weight363.46 g/mol
Exact Mass363.19
IUPAC NameN-[(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)methylideneamino]-3-methoxynaphthalene-2-carboxamide
SMILESCOc1cc2ccccc2cc1C(=O)NN=Cc1cc(C)n(C(C)C)c1C
InChIInChI=1S/C22H25N3O2/c1-14(2)25-15(3)10-19(16(25)4)13-23-24-22(26)20-11-17-8-6-7-9-18(17)12-21(20)27-5/h6-14H,1-5H3,(H,24,26)
InChIKeyJTBSQIVJYDUIAD-UHFFFAOYSA-N
XLogP4.61
TPSA55.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 54.61
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

methyl 3-[3-[[(3-methoxynaphthalene-2-carbonyl)hydrazinylidene]methyl]-2,5-dimethylpyrrol-1-yl]benzoate
CID 4664029
N-[[1-(4-bromophenyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]-3-methoxynaphthalene-2-carboxamide
CID 3377882
N-[[1-(3-fluorophenyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]-3-methoxynaphthalene-2-carboxamide
CID 3971650
N-[[1-(4-bromo-3-methylphenyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]-3-methoxynaphthalene-2-carboxamide
CID 4282453
N-[(Z)-(2,5-dimethyl-1-pyridin-3-ylpyrrol-3-yl)methylideneamino]-3-methoxynaphthalene-2-carboxamide
CID 6045564
N-[(Z)-(2,4-dihydroxyphenyl)methylideneamino]-3-methoxynaphthalene-2-carboxamide
CID 136720676
N-[(2,4-dimethoxyphenyl)methylideneamino]-3-methoxynaphthalene-2-carboxamide
CID 3422870
N-[(2-iodophenyl)methylideneamino]-3-methoxynaphthalene-2-carboxamide
CID 2306154
3-methoxy-N-[(Z)-(4-methoxynaphthalen-1-yl)methylideneamino]naphthalene-2-carboxamide
CID 6044173
N-[(Z)-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)methylideneamino]-4-ethoxy-3-methoxybenzamide
CID 9154315
N-[(Z)-[1-[4-[(2-fluorophenyl)methoxy]phenyl]-2,5-dimethylpyrrol-3-yl]methylideneamino]-3-methoxynaphthalene-2-carboxamide
CID 126377343
N-[(Z)-(5-bromo-2-hydroxy-3-methoxyphenyl)methylideneamino]-3-methoxynaphthalene-2-carboxamide
CID 137166744

Frequently Asked Questions

What is the IUPAC name of N-[(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)methylideneamino]-3-methoxynaphthalene-2-carboxamide?
The IUPAC name of N-[(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)methylideneamino]-3-methoxynaphthalene-2-carboxamide (CID 3389897) is N-[(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)methylideneamino]-3-methoxynaphthalene-2-carboxamide.
What is the SMILES notation for N-[(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)methylideneamino]-3-methoxynaphthalene-2-carboxamide?
The canonical SMILES for N-[(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)methylideneamino]-3-methoxynaphthalene-2-carboxamide is COc1cc2ccccc2cc1C(=O)NN=Cc1cc(C)n(C(C)C)c1C.
What is the InChIKey of N-[(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)methylideneamino]-3-methoxynaphthalene-2-carboxamide?
The InChIKey is JTBSQIVJYDUIAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O2/c1-14(2)25-15(3)10-19(16(25)4)13-23-24-22(26)20-11-17-8-6-7-9-18(17)12-21(20)27-5/h6-14H,1-5H3,(H,24,26).
What are the key properties of N-[(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)methylideneamino]-3-methoxynaphthalene-2-carboxamide?
N-[(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)methylideneamino]-3-methoxynaphthalene-2-carboxamide has a molecular weight of 363.46 g/mol, XLogP of 4.61, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)methylideneamino]-3-methoxynaphthalene-2-carboxamide is sourced from PubChem (CID 3389897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).