3,4,7-trimethyl-N-(3-methyl-2-pyridinyl)-1-benzofuran-2-carboxamide

C18H18N2O2 — CID 60578796

IUPAC3,4,7-trimethyl-N-(3-methyl-2-pyridinyl)-1-benzofuran-2-carboxamide
SMILESCc1cccnc1NC(=O)c1oc2c(C)ccc(C)c2c1C
InChIInChI=1S/C18H18N2O2/c1-10-7-8-11(2)15-14(10)13(4)16(22-15)18(21)20-17-12(3)6-5-9-19-17/h5-9H,1-4H3,(H,19,20,21)
InChIKeyCICGRBZBMMBWIT-UHFFFAOYSA-N
MW294.35 g/mol
LogP4.31
Rot. Bonds2

About 3,4,7-trimethyl-N-(3-methyl-2-pyridinyl)-1-benzofuran-2-carboxamide

3,4,7-trimethyl-N-(3-methyl-2-pyridinyl)-1-benzofuran-2-carboxamide (PubChem CID 60578796) has the molecular formula C18H18N2O2 and a molecular weight of 294.35 g/mol. Its IUPAC name is 3,4,7-trimethyl-N-(3-methyl-2-pyridinyl)-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name3,4,7-trimethyl-N-(3-methyl-2-pyridinyl)-1-benzofuran-2-carboxamide
PubChem CID60578796
Molecular FormulaC18H18N2O2
Molecular Weight294.35 g/mol
Exact Mass294.14
IUPAC Name3,4,7-trimethyl-N-(3-methyl-2-pyridinyl)-1-benzofuran-2-carboxamide
SMILESCc1cccnc1NC(=O)c1oc2c(C)ccc(C)c2c1C
InChIInChI=1S/C18H18N2O2/c1-10-7-8-11(2)15-14(10)13(4)16(22-15)18(21)20-17-12(3)6-5-9-19-17/h5-9H,1-4H3,(H,19,20,21)
InChIKeyCICGRBZBMMBWIT-UHFFFAOYSA-N
XLogP4.31
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,5-dimethylpyrazol-3-yl)-3,4,7-trimethyl-1-benzofuran-2-carboxamide
CID 60578628
5-bromo-2-methyl-N-(3-methyl-2-pyridinyl)benzamide
CID 65307070
2,5-dimethyl-N-(3-methyl-2-pyridinyl)furan-3-carboxamide
CID 25344560
2-N,6-N-bis(3-methyl-2-pyridinyl)pyridine-2,6-dicarboxamide
CID 4216500
4-(methylamino)-N-(3-methyl-2-pyridinyl)benzamide
CID 55042397
3,4,7-trimethyl-N-[2-(propan-2-ylcarbamoyl)phenyl]-1-benzofuran-2-carboxamide
CID 52743373
N-(3-methyl-2-pyridinyl)-2-[2-[(3-methyl-2-pyridinyl)carbamoyl]phenyl]benzamide
CID 1108359
5-bromo-N-(3-hydroxy-2-pyridinyl)-3-methyl-1-benzofuran-2-carboxamide
CID 18109302
N-[2-(ethylaminomethyl)phenyl]-3,4,7-trimethyl-1-benzofuran-2-carboxamide;hydrochloride
CID 119440832
2-[(3-methyl-2-pyridinyl)carbamoyl]benzoic acid
CID 738391
3,4,7-trimethyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1-benzofuran-2-carboxamide
CID 86836541
3,4,7-trimethyl-N-[2-(1,2,4-triazol-4-yl)ethyl]-1-benzofuran-2-carboxamide
CID 122154945

Frequently Asked Questions

What is the IUPAC name of 3,4,7-trimethyl-N-(3-methyl-2-pyridinyl)-1-benzofuran-2-carboxamide?
The IUPAC name of 3,4,7-trimethyl-N-(3-methyl-2-pyridinyl)-1-benzofuran-2-carboxamide (CID 60578796) is 3,4,7-trimethyl-N-(3-methyl-2-pyridinyl)-1-benzofuran-2-carboxamide.
What is the SMILES notation for 3,4,7-trimethyl-N-(3-methyl-2-pyridinyl)-1-benzofuran-2-carboxamide?
The canonical SMILES for 3,4,7-trimethyl-N-(3-methyl-2-pyridinyl)-1-benzofuran-2-carboxamide is Cc1cccnc1NC(=O)c1oc2c(C)ccc(C)c2c1C.
What is the InChIKey of 3,4,7-trimethyl-N-(3-methyl-2-pyridinyl)-1-benzofuran-2-carboxamide?
The InChIKey is CICGRBZBMMBWIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O2/c1-10-7-8-11(2)15-14(10)13(4)16(22-15)18(21)20-17-12(3)6-5-9-19-17/h5-9H,1-4H3,(H,19,20,21).
What are the key properties of 3,4,7-trimethyl-N-(3-methyl-2-pyridinyl)-1-benzofuran-2-carboxamide?
3,4,7-trimethyl-N-(3-methyl-2-pyridinyl)-1-benzofuran-2-carboxamide has a molecular weight of 294.35 g/mol, XLogP of 4.31, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,7-trimethyl-N-(3-methyl-2-pyridinyl)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 60578796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).