1-[(3-chlorophenyl)methyl]-2-methyl-5-pentyl-4-pyridin-3-ylpyrrole-3-carboxamide

C23H26ClN3O — CID 3415171

IUPAC1-[(3-chlorophenyl)methyl]-2-methyl-5-pentyl-4-pyridin-3-ylpyrrole-3-carboxamide
SMILESCCCCCc1c(-c2cccnc2)c(C(N)=O)c(C)n1Cc1cccc(Cl)c1
InChIInChI=1S/C23H26ClN3O/c1-3-4-5-11-20-22(18-9-7-12-26-14-18)21(23(25)28)16(2)27(20)15-17-8-6-10-19(24)13-17/h6-10,12-14H,3-5,11,15H2,1-2H3,(H2,25,28)
InChIKeyHXLWKMAUSFJEDF-UHFFFAOYSA-N
MW395.93 g/mol
LogP5.39
Rot. Bonds8

About 1-[(3-chlorophenyl)methyl]-2-methyl-5-pentyl-4-pyridin-3-ylpyrrole-3-carboxamide

1-[(3-chlorophenyl)methyl]-2-methyl-5-pentyl-4-pyridin-3-ylpyrrole-3-carboxamide (PubChem CID 3415171) has the molecular formula C23H26ClN3O and a molecular weight of 395.93 g/mol. Its IUPAC name is 1-[(3-chlorophenyl)methyl]-2-methyl-5-pentyl-4-pyridin-3-ylpyrrole-3-carboxamide.

Molecular Properties

Compound Name1-[(3-chlorophenyl)methyl]-2-methyl-5-pentyl-4-pyridin-3-ylpyrrole-3-carboxamide
PubChem CID3415171
Molecular FormulaC23H26ClN3O
Molecular Weight395.93 g/mol
Exact Mass395.18
IUPAC Name1-[(3-chlorophenyl)methyl]-2-methyl-5-pentyl-4-pyridin-3-ylpyrrole-3-carboxamide
SMILESCCCCCc1c(-c2cccnc2)c(C(N)=O)c(C)n1Cc1cccc(Cl)c1
InChIInChI=1S/C23H26ClN3O/c1-3-4-5-11-20-22(18-9-7-12-26-14-18)21(23(25)28)16(2)27(20)15-17-8-6-10-19(24)13-17/h6-10,12-14H,3-5,11,15H2,1-2H3,(H2,25,28)
InChIKeyHXLWKMAUSFJEDF-UHFFFAOYSA-N
XLogP5.39
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.93
LogP ≤ 55.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(4-bromophenyl)-5-butyl-1-[(3-chlorophenyl)methyl]-2-methylpyrrole-3-carboxamide
CID 3287721
1-[(3-chlorophenyl)methyl]-4-(3-hydroxyphenyl)-2-methyl-5-propylpyrrole-3-carboxamide
CID 3702538
1-benzyl-2-methyl-5-pentyl-4-(4-phenylphenyl)pyrrole-3-carboxamide
CID 3690557
methyl 3-(1-benzyl-4-carbamoyl-5-methyl-3-pyridin-3-ylpyrrol-2-yl)propanoate
CID 3766953
1-(3-ethoxypropyl)-2-methyl-5-pentyl-4-pyridin-3-ylpyrrole-3-carboxamide
CID 3867010
1-(3-hydroxypropyl)-2-methyl-5-propyl-4-pyridin-3-ylpyrrole-3-carboxamide
CID 5194686
1-benzyl-5-butyl-2-methyl-4-[3-(trifluoromethoxy)phenyl]pyrrole-3-carboxamide
CID 3481918
2-methyl-5-pentyl-4-phenyl-1-(2-phenylethyl)pyrrole-3-carboxamide
CID 3815467
methyl 4-(1-benzyl-4-carbamoyl-5-methyl-2-pentylpyrrol-3-yl)benzoate
CID 3740968
1-[(3,4-difluorophenyl)methyl]-2-methyl-5-pentyl-4-thiophen-3-ylpyrrole-3-carboxamide
CID 3466776
methyl 3-[4-carbamoyl-1-[(3-chlorophenyl)methyl]-3-(4-methoxy-3-methylphenyl)-5-methylpyrrol-2-yl]propanoate
CID 3591611
4-(3-fluorophenyl)-2-methyl-5-pentyl-1-propylpyrrole-3-carboxamide
CID 3697404

Frequently Asked Questions

What is the IUPAC name of 1-[(3-chlorophenyl)methyl]-2-methyl-5-pentyl-4-pyridin-3-ylpyrrole-3-carboxamide?
The IUPAC name of 1-[(3-chlorophenyl)methyl]-2-methyl-5-pentyl-4-pyridin-3-ylpyrrole-3-carboxamide (CID 3415171) is 1-[(3-chlorophenyl)methyl]-2-methyl-5-pentyl-4-pyridin-3-ylpyrrole-3-carboxamide.
What is the SMILES notation for 1-[(3-chlorophenyl)methyl]-2-methyl-5-pentyl-4-pyridin-3-ylpyrrole-3-carboxamide?
The canonical SMILES for 1-[(3-chlorophenyl)methyl]-2-methyl-5-pentyl-4-pyridin-3-ylpyrrole-3-carboxamide is CCCCCc1c(-c2cccnc2)c(C(N)=O)c(C)n1Cc1cccc(Cl)c1.
What is the InChIKey of 1-[(3-chlorophenyl)methyl]-2-methyl-5-pentyl-4-pyridin-3-ylpyrrole-3-carboxamide?
The InChIKey is HXLWKMAUSFJEDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26ClN3O/c1-3-4-5-11-20-22(18-9-7-12-26-14-18)21(23(25)28)16(2)27(20)15-17-8-6-10-19(24)13-17/h6-10,12-14H,3-5,11,15H2,1-2H3,(H2,25,28).
What are the key properties of 1-[(3-chlorophenyl)methyl]-2-methyl-5-pentyl-4-pyridin-3-ylpyrrole-3-carboxamide?
1-[(3-chlorophenyl)methyl]-2-methyl-5-pentyl-4-pyridin-3-ylpyrrole-3-carboxamide has a molecular weight of 395.93 g/mol, XLogP of 5.39, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-chlorophenyl)methyl]-2-methyl-5-pentyl-4-pyridin-3-ylpyrrole-3-carboxamide is sourced from PubChem (CID 3415171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).