5-ethyl-N-(3-methyl-1-pyridin-3-ylbutyl)-1H-pyrrole-2-carboxamide

C17H23N3O — CID 118763463

IUPAC5-ethyl-N-(3-methyl-1-pyridin-3-ylbutyl)-1H-pyrrole-2-carboxamide
SMILESCCc1ccc(C(=O)NC(CC(C)C)c2cccnc2)[nH]1
InChIInChI=1S/C17H23N3O/c1-4-14-7-8-15(19-14)17(21)20-16(10-12(2)3)13-6-5-9-18-11-13/h5-9,11-12,16,19H,4,10H2,1-3H3,(H,20,21)
InChIKeyILQBICAHHAGQSW-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.49
Rot. Bonds6

About 5-ethyl-N-(3-methyl-1-pyridin-3-ylbutyl)-1H-pyrrole-2-carboxamide

5-ethyl-N-(3-methyl-1-pyridin-3-ylbutyl)-1H-pyrrole-2-carboxamide (PubChem CID 118763463) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is 5-ethyl-N-(3-methyl-1-pyridin-3-ylbutyl)-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name5-ethyl-N-(3-methyl-1-pyridin-3-ylbutyl)-1H-pyrrole-2-carboxamide
PubChem CID118763463
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name5-ethyl-N-(3-methyl-1-pyridin-3-ylbutyl)-1H-pyrrole-2-carboxamide
SMILESCCc1ccc(C(=O)NC(CC(C)C)c2cccnc2)[nH]1
InChIInChI=1S/C17H23N3O/c1-4-14-7-8-15(19-14)17(21)20-16(10-12(2)3)13-6-5-9-18-11-13/h5-9,11-12,16,19H,4,10H2,1-3H3,(H,20,21)
InChIKeyILQBICAHHAGQSW-UHFFFAOYSA-N
XLogP3.49
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-methyl-1-pyridin-3-ylbutyl)-6-oxo-1H-pyrazine-3-carboxamide
CID 91776352
(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
2-amino-N-(3-methyl-1-pyridin-3-ylbutyl)-1,3-thiazole-4-carboxamide
CID 118765879
1,2,5-trimethyl-N-(3-methyl-1-pyridin-3-ylbutyl)pyrrole-3-carboxamide
CID 135106046
2-(3-methoxyphenyl)-N-(3-methyl-1-pyridin-3-ylbutyl)acetamide
CID 118774275
2-(1-ethylpiperidin-4-yl)-N-[(1S)-3-methyl-1-pyridin-3-ylbutyl]acetamide
CID 97203687
N-[(1R)-3-methyl-1-pyridin-3-ylbutyl]-3-(5-methyltetrazol-1-yl)propanamide
CID 125168942
N-[(1R)-3-methyl-1-pyridin-3-ylbutyl]-4-(1,2,4-triazol-1-yl)butanamide
CID 125165548
1-(3-methoxy-4-methylphenyl)-3-[(1R)-3-methyl-1-pyridin-3-ylbutyl]urea
CID 125177918
4-methyl-2-pyridin-3-ylpentanamide
CID 68724697
N-(3,3-dimethyl-1-pyridin-3-ylbutyl)-6-methyl-2-oxo-1H-pyridine-3-carboxamide
CID 122572746

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N-(3-methyl-1-pyridin-3-ylbutyl)-1H-pyrrole-2-carboxamide?
The IUPAC name of 5-ethyl-N-(3-methyl-1-pyridin-3-ylbutyl)-1H-pyrrole-2-carboxamide (CID 118763463) is 5-ethyl-N-(3-methyl-1-pyridin-3-ylbutyl)-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 5-ethyl-N-(3-methyl-1-pyridin-3-ylbutyl)-1H-pyrrole-2-carboxamide?
The canonical SMILES for 5-ethyl-N-(3-methyl-1-pyridin-3-ylbutyl)-1H-pyrrole-2-carboxamide is CCc1ccc(C(=O)NC(CC(C)C)c2cccnc2)[nH]1.
What is the InChIKey of 5-ethyl-N-(3-methyl-1-pyridin-3-ylbutyl)-1H-pyrrole-2-carboxamide?
The InChIKey is ILQBICAHHAGQSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-4-14-7-8-15(19-14)17(21)20-16(10-12(2)3)13-6-5-9-18-11-13/h5-9,11-12,16,19H,4,10H2,1-3H3,(H,20,21).
What are the key properties of 5-ethyl-N-(3-methyl-1-pyridin-3-ylbutyl)-1H-pyrrole-2-carboxamide?
5-ethyl-N-(3-methyl-1-pyridin-3-ylbutyl)-1H-pyrrole-2-carboxamide has a molecular weight of 285.39 g/mol, XLogP of 3.49, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N-(3-methyl-1-pyridin-3-ylbutyl)-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 118763463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).