N-[5-[(dimethylamino)methyl]-3-pyridinyl]-7-methyl-1-benzofuran-3-carboxamide

C18H19N3O2 — CID 166360733

IUPACN-[5-[(dimethylamino)methyl]-3-pyridinyl]-7-methyl-1-benzofuran-3-carboxamide
SMILESCc1cccc2c(C(=O)Nc3cncc(CN(C)C)c3)coc12
InChIInChI=1S/C18H19N3O2/c1-12-5-4-6-15-16(11-23-17(12)15)18(22)20-14-7-13(8-19-9-14)10-21(2)3/h4-9,11H,10H2,1-3H3,(H,20,22)
InChIKeyRCKWOTWQFGXQEI-UHFFFAOYSA-N
MW309.37 g/mol
LogP3.45
Rot. Bonds4

About N-[5-[(dimethylamino)methyl]-3-pyridinyl]-7-methyl-1-benzofuran-3-carboxamide

N-[5-[(dimethylamino)methyl]-3-pyridinyl]-7-methyl-1-benzofuran-3-carboxamide (PubChem CID 166360733) has the molecular formula C18H19N3O2 and a molecular weight of 309.37 g/mol. Its IUPAC name is N-[5-[(dimethylamino)methyl]-3-pyridinyl]-7-methyl-1-benzofuran-3-carboxamide.

Molecular Properties

Compound NameN-[5-[(dimethylamino)methyl]-3-pyridinyl]-7-methyl-1-benzofuran-3-carboxamide
PubChem CID166360733
Molecular FormulaC18H19N3O2
Molecular Weight309.37 g/mol
Exact Mass309.15
IUPAC NameN-[5-[(dimethylamino)methyl]-3-pyridinyl]-7-methyl-1-benzofuran-3-carboxamide
SMILESCc1cccc2c(C(=O)Nc3cncc(CN(C)C)c3)coc12
InChIInChI=1S/C18H19N3O2/c1-12-5-4-6-15-16(11-23-17(12)15)18(22)20-14-7-13(8-19-9-14)10-21(2)3/h4-9,11H,10H2,1-3H3,(H,20,22)
InChIKeyRCKWOTWQFGXQEI-UHFFFAOYSA-N
XLogP3.45
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(7-methyl-1-benzofuran-3-yl)ethanone
CID 53403060
4-chloro-N-[3-[(dimethylamino)methyl]phenyl]pyridine-3-carboxamide
CID 81227089
N-[3-[(dimethylamino)methyl]phenyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 86931949
N-[3-[(dimethylamino)methyl]phenyl]-5-hydroxypyridine-3-carboxamide
CID 63860097
7-methyl-N-[(3R,4R)-3-[(2-pyridin-3-ylacetyl)amino]oxan-4-yl]-1-benzofuran-3-carboxamide
CID 138046587
2,5-dichloro-N-[3-[(dimethylamino)methyl]phenyl]pyridine-4-carboxamide
CID 114917751
N-[3-[(dimethylamino)methyl]phenyl]-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 86932031
4-(1-benzothiophen-4-yl)-N-[5-[(dimethylamino)methyl]-3-pyridinyl]piperazine-1-carboxamide
CID 167818171
1-chloro-N-(5-methyl-3-pyridinyl)isoquinoline-4-carboxamide
CID 106831970
N-[3-[(dimethylamino)methyl]-5-methylphenyl]-2,6-dimethylpyridine-3-carboxamide
CID 71908023
4-[[[5-[(dimethylamino)methyl]-3-pyridinyl]amino]methyl]phenol
CID 123992398
methyl 4-[[3-[(dimethylamino)methyl]phenyl]carbamoyl]benzoate
CID 54326665

Frequently Asked Questions

What is the IUPAC name of N-[5-[(dimethylamino)methyl]-3-pyridinyl]-7-methyl-1-benzofuran-3-carboxamide?
The IUPAC name of N-[5-[(dimethylamino)methyl]-3-pyridinyl]-7-methyl-1-benzofuran-3-carboxamide (CID 166360733) is N-[5-[(dimethylamino)methyl]-3-pyridinyl]-7-methyl-1-benzofuran-3-carboxamide.
What is the SMILES notation for N-[5-[(dimethylamino)methyl]-3-pyridinyl]-7-methyl-1-benzofuran-3-carboxamide?
The canonical SMILES for N-[5-[(dimethylamino)methyl]-3-pyridinyl]-7-methyl-1-benzofuran-3-carboxamide is Cc1cccc2c(C(=O)Nc3cncc(CN(C)C)c3)coc12.
What is the InChIKey of N-[5-[(dimethylamino)methyl]-3-pyridinyl]-7-methyl-1-benzofuran-3-carboxamide?
The InChIKey is RCKWOTWQFGXQEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2/c1-12-5-4-6-15-16(11-23-17(12)15)18(22)20-14-7-13(8-19-9-14)10-21(2)3/h4-9,11H,10H2,1-3H3,(H,20,22).
What are the key properties of N-[5-[(dimethylamino)methyl]-3-pyridinyl]-7-methyl-1-benzofuran-3-carboxamide?
N-[5-[(dimethylamino)methyl]-3-pyridinyl]-7-methyl-1-benzofuran-3-carboxamide has a molecular weight of 309.37 g/mol, XLogP of 3.45, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(dimethylamino)methyl]-3-pyridinyl]-7-methyl-1-benzofuran-3-carboxamide is sourced from PubChem (CID 166360733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).