1,2,5-trimethyl-N-(3-methyl-1-pyridin-3-ylbutyl)pyrrole-3-carboxamide

C18H25N3O — CID 135106046

IUPAC1,2,5-trimethyl-N-(3-methyl-1-pyridin-3-ylbutyl)pyrrole-3-carboxamide
SMILESCc1cc(C(=O)NC(CC(C)C)c2cccnc2)c(C)n1C
InChIInChI=1S/C18H25N3O/c1-12(2)9-17(15-7-6-8-19-11-15)20-18(22)16-10-13(3)21(5)14(16)4/h6-8,10-12,17H,9H2,1-5H3,(H,20,22)
InChIKeySOFFCMXLBIMGFR-UHFFFAOYSA-N
MW299.42 g/mol
LogP3.55
Rot. Bonds5

About 1,2,5-trimethyl-N-(3-methyl-1-pyridin-3-ylbutyl)pyrrole-3-carboxamide

1,2,5-trimethyl-N-(3-methyl-1-pyridin-3-ylbutyl)pyrrole-3-carboxamide (PubChem CID 135106046) has the molecular formula C18H25N3O and a molecular weight of 299.42 g/mol. Its IUPAC name is 1,2,5-trimethyl-N-(3-methyl-1-pyridin-3-ylbutyl)pyrrole-3-carboxamide.

Molecular Properties

Compound Name1,2,5-trimethyl-N-(3-methyl-1-pyridin-3-ylbutyl)pyrrole-3-carboxamide
PubChem CID135106046
Molecular FormulaC18H25N3O
Molecular Weight299.42 g/mol
Exact Mass299.20
IUPAC Name1,2,5-trimethyl-N-(3-methyl-1-pyridin-3-ylbutyl)pyrrole-3-carboxamide
SMILESCc1cc(C(=O)NC(CC(C)C)c2cccnc2)c(C)n1C
InChIInChI=1S/C18H25N3O/c1-12(2)9-17(15-7-6-8-19-11-15)20-18(22)16-10-13(3)21(5)14(16)4/h6-8,10-12,17H,9H2,1-5H3,(H,20,22)
InChIKeySOFFCMXLBIMGFR-UHFFFAOYSA-N
XLogP3.55
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.42
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1R)-3-methyl-1-pyridin-3-ylbutyl]-3-(5-methyltetrazol-1-yl)propanamide
CID 125168942
5-ethyl-N-(3-methyl-1-pyridin-3-ylbutyl)-1H-pyrrole-2-carboxamide
CID 118763463
N-(3-methyl-1-pyridin-3-ylbutyl)-6-oxo-1H-pyrazine-3-carboxamide
CID 91776352
2-(3-methoxyphenyl)-N-(3-methyl-1-pyridin-3-ylbutyl)acetamide
CID 118774275
2-amino-N-(3-methyl-1-pyridin-3-ylbutyl)-1,3-thiazole-4-carboxamide
CID 118765879
1-(3-methoxy-4-methylphenyl)-3-[(1R)-3-methyl-1-pyridin-3-ylbutyl]urea
CID 125177918
1,6-dimethyl-2-oxo-N-[(1R)-1-pyridin-3-ylethyl]pyridine-3-carboxamide
CID 125437332
(E)-N-[(1S)-3-methyl-1-pyridin-3-ylbutyl]hex-3-enamide
CID 124756065
3-cyclopropyl-5-methyl-N-[(1R)-3-methyl-1-pyridin-3-ylbutyl]-1H-pyrazole-4-carboxamide
CID 125154989
N-[(1R)-3-methyl-1-pyridin-3-ylbutyl]-4-(1,2,4-triazol-1-yl)butanamide
CID 125165548
1-ethyl-6-methyl-2-oxo-N-[(1S)-1-pyridin-3-ylpropyl]pyridine-3-carboxamide
CID 125441292
2,4,5-trimethyl-N-[(1S)-3-methyl-1-phenylbutyl]benzamide
CID 100710084

Frequently Asked Questions

What is the IUPAC name of 1,2,5-trimethyl-N-(3-methyl-1-pyridin-3-ylbutyl)pyrrole-3-carboxamide?
The IUPAC name of 1,2,5-trimethyl-N-(3-methyl-1-pyridin-3-ylbutyl)pyrrole-3-carboxamide (CID 135106046) is 1,2,5-trimethyl-N-(3-methyl-1-pyridin-3-ylbutyl)pyrrole-3-carboxamide.
What is the SMILES notation for 1,2,5-trimethyl-N-(3-methyl-1-pyridin-3-ylbutyl)pyrrole-3-carboxamide?
The canonical SMILES for 1,2,5-trimethyl-N-(3-methyl-1-pyridin-3-ylbutyl)pyrrole-3-carboxamide is Cc1cc(C(=O)NC(CC(C)C)c2cccnc2)c(C)n1C.
What is the InChIKey of 1,2,5-trimethyl-N-(3-methyl-1-pyridin-3-ylbutyl)pyrrole-3-carboxamide?
The InChIKey is SOFFCMXLBIMGFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O/c1-12(2)9-17(15-7-6-8-19-11-15)20-18(22)16-10-13(3)21(5)14(16)4/h6-8,10-12,17H,9H2,1-5H3,(H,20,22).
What are the key properties of 1,2,5-trimethyl-N-(3-methyl-1-pyridin-3-ylbutyl)pyrrole-3-carboxamide?
1,2,5-trimethyl-N-(3-methyl-1-pyridin-3-ylbutyl)pyrrole-3-carboxamide has a molecular weight of 299.42 g/mol, XLogP of 3.55, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,5-trimethyl-N-(3-methyl-1-pyridin-3-ylbutyl)pyrrole-3-carboxamide is sourced from PubChem (CID 135106046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).