N-(4,6-dimethyl-2-pyridinyl)-3-pyrrol-1-ylbutanamide

C15H19N3O — CID 174332471

IUPACN-(4,6-dimethyl-2-pyridinyl)-3-pyrrol-1-ylbutanamide
SMILESCc1cc(C)nc(NC(=O)CC(C)n2cccc2)c1
InChIInChI=1S/C15H19N3O/c1-11-8-12(2)16-14(9-11)17-15(19)10-13(3)18-6-4-5-7-18/h4-9,13H,10H2,1-3H3,(H,16,17,19)
InChIKeyCLERBRNAOSRRFO-UHFFFAOYSA-N
MW257.34 g/mol
LogP3.09
Rot. Bonds4

About N-(4,6-dimethyl-2-pyridinyl)-3-pyrrol-1-ylbutanamide

N-(4,6-dimethyl-2-pyridinyl)-3-pyrrol-1-ylbutanamide (PubChem CID 174332471) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is N-(4,6-dimethyl-2-pyridinyl)-3-pyrrol-1-ylbutanamide.

Molecular Properties

Compound NameN-(4,6-dimethyl-2-pyridinyl)-3-pyrrol-1-ylbutanamide
PubChem CID174332471
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC NameN-(4,6-dimethyl-2-pyridinyl)-3-pyrrol-1-ylbutanamide
SMILESCc1cc(C)nc(NC(=O)CC(C)n2cccc2)c1
InChIInChI=1S/C15H19N3O/c1-11-8-12(2)16-14(9-11)17-15(19)10-13(3)18-6-4-5-7-18/h4-9,13H,10H2,1-3H3,(H,16,17,19)
InChIKeyCLERBRNAOSRRFO-UHFFFAOYSA-N
XLogP3.09
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4,6-dimethyl-2-pyridinyl)-3-pyrrol-1-ylbutanamide?
The IUPAC name of N-(4,6-dimethyl-2-pyridinyl)-3-pyrrol-1-ylbutanamide (CID 174332471) is N-(4,6-dimethyl-2-pyridinyl)-3-pyrrol-1-ylbutanamide.
What is the SMILES notation for N-(4,6-dimethyl-2-pyridinyl)-3-pyrrol-1-ylbutanamide?
The canonical SMILES for N-(4,6-dimethyl-2-pyridinyl)-3-pyrrol-1-ylbutanamide is Cc1cc(C)nc(NC(=O)CC(C)n2cccc2)c1.
What is the InChIKey of N-(4,6-dimethyl-2-pyridinyl)-3-pyrrol-1-ylbutanamide?
The InChIKey is CLERBRNAOSRRFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-11-8-12(2)16-14(9-11)17-15(19)10-13(3)18-6-4-5-7-18/h4-9,13H,10H2,1-3H3,(H,16,17,19).
What are the key properties of N-(4,6-dimethyl-2-pyridinyl)-3-pyrrol-1-ylbutanamide?
N-(4,6-dimethyl-2-pyridinyl)-3-pyrrol-1-ylbutanamide has a molecular weight of 257.34 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,6-dimethyl-2-pyridinyl)-3-pyrrol-1-ylbutanamide is sourced from PubChem (CID 174332471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).