1-[(3-butylimidazol-4-yl)methyl]-N-(3-methoxypropyl)-4-naphthalen-1-ylpyrrole-2-carboxamide

C27H32N4O2 — CID 139978647

IUPAC1-[(3-butylimidazol-4-yl)methyl]-N-(3-methoxypropyl)-4-naphthalen-1-ylpyrrole-2-carboxamide
SMILESCCCCn1cncc1Cn1cc(-c2cccc3ccccc23)cc1C(=O)NCCCOC
InChIInChI=1S/C27H32N4O2/c1-3-4-14-30-20-28-17-23(30)19-31-18-22(16-26(31)27(32)29-13-8-15-33-2)25-12-7-10-21-9-5-6-11-24(21)25/h5-7,9-12,16-18,20H,3-4,8,13-15,19H2,1-2H3,(H,29,32)
InChIKeyNRLUFCIFOMJITK-UHFFFAOYSA-N
MW444.58 g/mol
LogP5.12
Rot. Bonds11

About 1-[(3-butylimidazol-4-yl)methyl]-N-(3-methoxypropyl)-4-naphthalen-1-ylpyrrole-2-carboxamide

1-[(3-butylimidazol-4-yl)methyl]-N-(3-methoxypropyl)-4-naphthalen-1-ylpyrrole-2-carboxamide (PubChem CID 139978647) has the molecular formula C27H32N4O2 and a molecular weight of 444.58 g/mol. Its IUPAC name is 1-[(3-butylimidazol-4-yl)methyl]-N-(3-methoxypropyl)-4-naphthalen-1-ylpyrrole-2-carboxamide.

Molecular Properties

Compound Name1-[(3-butylimidazol-4-yl)methyl]-N-(3-methoxypropyl)-4-naphthalen-1-ylpyrrole-2-carboxamide
PubChem CID139978647
Molecular FormulaC27H32N4O2
Molecular Weight444.58 g/mol
Exact Mass444.25
IUPAC Name1-[(3-butylimidazol-4-yl)methyl]-N-(3-methoxypropyl)-4-naphthalen-1-ylpyrrole-2-carboxamide
SMILESCCCCn1cncc1Cn1cc(-c2cccc3ccccc23)cc1C(=O)NCCCOC
InChIInChI=1S/C27H32N4O2/c1-3-4-14-30-20-28-17-23(30)19-31-18-22(16-26(31)27(32)29-13-8-15-33-2)25-12-7-10-21-9-5-6-11-24(21)25/h5-7,9-12,16-18,20H,3-4,8,13-15,19H2,1-2H3,(H,29,32)
InChIKeyNRLUFCIFOMJITK-UHFFFAOYSA-N
XLogP5.12
TPSA61.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.58
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(3-methoxypropyl)-4-naphthalen-1-yl-1-[[3-[(1-propanoylpiperidin-4-yl)methyl]imidazol-4-yl]methyl]pyrrole-2-carboxamide
CID 139904500
N-(3-methoxypropyl)-4-naphthalen-1-yl-2-[[3-(3-phenylmethoxypropyl)imidazol-4-yl]methyl]pyrrole-1-carboxamide
CID 139935698
N-(3-hydroxypropyl)-1-(1H-imidazol-5-ylmethyl)-4-naphthalen-1-ylpyrrole-2-carboxamide
CID 139978646
N-(3-methoxypropyl)-1-methylindazole-3-carboxamide
CID 166081516
N-(3-methoxypropyl)-1-methyl-[1]benzofuro[3,2-b]pyrrole-2-carboxamide
CID 20893916
N-(3-methoxypropyl)-2-methylpyrazole-3-carboxamide
CID 19475749
3-[(1-methylindole-2-carbonyl)amino]propyl butanoate
CID 167310044
N-benzyl-1-butyl-5-(2-methoxyphenyl)-2-oxopyridine-3-carboxamide
CID 10293778
2-(1-ethyl-3-methylpyrazol-4-yl)-N-(3-methoxypropyl)quinoline-4-carboxamide
CID 19511666
N-(3-methoxypropyl)-6-methyl-2-oxo-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide
CID 4189020
4-methoxy-N-(4-methoxybutyl)-3-phenylbenzamide
CID 49326379
3-(3-methoxyphenyl)-1-(4-methoxyphenyl)-N-(3-methoxypropyl)pyrazole-5-carboxamide
CID 4553947

Frequently Asked Questions

What is the IUPAC name of 1-[(3-butylimidazol-4-yl)methyl]-N-(3-methoxypropyl)-4-naphthalen-1-ylpyrrole-2-carboxamide?
The IUPAC name of 1-[(3-butylimidazol-4-yl)methyl]-N-(3-methoxypropyl)-4-naphthalen-1-ylpyrrole-2-carboxamide (CID 139978647) is 1-[(3-butylimidazol-4-yl)methyl]-N-(3-methoxypropyl)-4-naphthalen-1-ylpyrrole-2-carboxamide.
What is the SMILES notation for 1-[(3-butylimidazol-4-yl)methyl]-N-(3-methoxypropyl)-4-naphthalen-1-ylpyrrole-2-carboxamide?
The canonical SMILES for 1-[(3-butylimidazol-4-yl)methyl]-N-(3-methoxypropyl)-4-naphthalen-1-ylpyrrole-2-carboxamide is CCCCn1cncc1Cn1cc(-c2cccc3ccccc23)cc1C(=O)NCCCOC.
What is the InChIKey of 1-[(3-butylimidazol-4-yl)methyl]-N-(3-methoxypropyl)-4-naphthalen-1-ylpyrrole-2-carboxamide?
The InChIKey is NRLUFCIFOMJITK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N4O2/c1-3-4-14-30-20-28-17-23(30)19-31-18-22(16-26(31)27(32)29-13-8-15-33-2)25-12-7-10-21-9-5-6-11-24(21)25/h5-7,9-12,16-18,20H,3-4,8,13-15,19H2,1-2H3,(H,29,32).
What are the key properties of 1-[(3-butylimidazol-4-yl)methyl]-N-(3-methoxypropyl)-4-naphthalen-1-ylpyrrole-2-carboxamide?
1-[(3-butylimidazol-4-yl)methyl]-N-(3-methoxypropyl)-4-naphthalen-1-ylpyrrole-2-carboxamide has a molecular weight of 444.58 g/mol, XLogP of 5.12, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-butylimidazol-4-yl)methyl]-N-(3-methoxypropyl)-4-naphthalen-1-ylpyrrole-2-carboxamide is sourced from PubChem (CID 139978647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).