3,5-dimethyl-N-[(1R)-1-pyridin-4-ylpropyl]-1-benzofuran-2-carboxamide

C19H20N2O2 — CID 42522128

IUPAC3,5-dimethyl-N-[(1R)-1-pyridin-4-ylpropyl]-1-benzofuran-2-carboxamide
SMILESCC[C@@H](NC(=O)c1oc2ccc(C)cc2c1C)c1ccncc1
InChIInChI=1S/C19H20N2O2/c1-4-16(14-7-9-20-10-8-14)21-19(22)18-13(3)15-11-12(2)5-6-17(15)23-18/h5-11,16H,4H2,1-3H3,(H,21,22)/t16-/m1/s1
InChIKeyUQRZWCNEZJWQFJ-MRXNPFEDSA-N
MW308.38 g/mol
LogP4.33
Rot. Bonds4

About 3,5-dimethyl-N-[(1R)-1-pyridin-4-ylpropyl]-1-benzofuran-2-carboxamide

3,5-dimethyl-N-[(1R)-1-pyridin-4-ylpropyl]-1-benzofuran-2-carboxamide (PubChem CID 42522128) has the molecular formula C19H20N2O2 and a molecular weight of 308.38 g/mol. Its IUPAC name is 3,5-dimethyl-N-[(1R)-1-pyridin-4-ylpropyl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name3,5-dimethyl-N-[(1R)-1-pyridin-4-ylpropyl]-1-benzofuran-2-carboxamide
PubChem CID42522128
Molecular FormulaC19H20N2O2
Molecular Weight308.38 g/mol
Exact Mass308.15
IUPAC Name3,5-dimethyl-N-[(1R)-1-pyridin-4-ylpropyl]-1-benzofuran-2-carboxamide
SMILESCC[C@@H](NC(=O)c1oc2ccc(C)cc2c1C)c1ccncc1
InChIInChI=1S/C19H20N2O2/c1-4-16(14-7-9-20-10-8-14)21-19(22)18-13(3)15-11-12(2)5-6-17(15)23-18/h5-11,16H,4H2,1-3H3,(H,21,22)/t16-/m1/s1
InChIKeyUQRZWCNEZJWQFJ-MRXNPFEDSA-N
XLogP4.33
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-ethoxy-3-methyl-N-[1-(4-methylphenyl)propyl]-1-benzofuran-2-carboxamide
CID 42907524
3-methyl-N-[(1S)-1-phenylpropyl]-1-benzofuran-2-carboxamide
CID 40636003
3,5-dimethyl-N-[(1S)-2,2,2-trifluoro-1-pyridin-3-ylethyl]-1-benzofuran-2-carboxamide
CID 42515942
2-methyl-N-(1-pyridin-4-ylpropyl)benzamide
CID 122142222
3,5-dimethyl-N-(5-methyl-1,2-oxazol-3-yl)-1-benzofuran-2-carboxamide
CID 9120446
3,6-dimethyl-N-[(1R)-1-pyridin-3-ylethyl]-1-benzofuran-2-carboxamide
CID 92559635
5-bromo-3-methyl-N-(pyridin-4-ylmethyl)-1-benzofuran-2-carboxamide
CID 852717
2-methyl-N-(1-pyridin-4-ylpropyl)-1,3-thiazole-4-carboxamide
CID 131909576
N-cyclopentyl-3,5-dimethyl-1-benzofuran-2-carboxamide
CID 16648842
1-[(2S)-2-(3,5-dimethylphenyl)-2-hydroxyethyl]-3-[(1S)-1-pyridin-4-ylpropyl]urea
CID 124731247
N-[1-(hydroxymethyl)cyclopent-3-en-1-yl]-3,5-dimethyl-1-benzofuran-2-carboxamide
CID 119058773
N-(4-acetylphenyl)-3,5-dimethyl-1-benzofuran-2-carboxamide
CID 7464080

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-[(1R)-1-pyridin-4-ylpropyl]-1-benzofuran-2-carboxamide?
The IUPAC name of 3,5-dimethyl-N-[(1R)-1-pyridin-4-ylpropyl]-1-benzofuran-2-carboxamide (CID 42522128) is 3,5-dimethyl-N-[(1R)-1-pyridin-4-ylpropyl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for 3,5-dimethyl-N-[(1R)-1-pyridin-4-ylpropyl]-1-benzofuran-2-carboxamide?
The canonical SMILES for 3,5-dimethyl-N-[(1R)-1-pyridin-4-ylpropyl]-1-benzofuran-2-carboxamide is CC[C@@H](NC(=O)c1oc2ccc(C)cc2c1C)c1ccncc1.
What is the InChIKey of 3,5-dimethyl-N-[(1R)-1-pyridin-4-ylpropyl]-1-benzofuran-2-carboxamide?
The InChIKey is UQRZWCNEZJWQFJ-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H20N2O2/c1-4-16(14-7-9-20-10-8-14)21-19(22)18-13(3)15-11-12(2)5-6-17(15)23-18/h5-11,16H,4H2,1-3H3,(H,21,22)/t16-/m1/s1.
What are the key properties of 3,5-dimethyl-N-[(1R)-1-pyridin-4-ylpropyl]-1-benzofuran-2-carboxamide?
3,5-dimethyl-N-[(1R)-1-pyridin-4-ylpropyl]-1-benzofuran-2-carboxamide has a molecular weight of 308.38 g/mol, XLogP of 4.33, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-[(1R)-1-pyridin-4-ylpropyl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 42522128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).