N-(6-amino-3-pyridinyl)-N-methyl-2,3-dihydro-1-benzofuran-5-carboxamide

C15H15N3O2 — CID 115274571

IUPACN-(6-amino-3-pyridinyl)-N-methyl-2,3-dihydro-1-benzofuran-5-carboxamide
SMILESCN(C(=O)c1ccc2c(c1)CCO2)c1ccc(N)nc1
InChIInChI=1S/C15H15N3O2/c1-18(12-3-5-14(16)17-9-12)15(19)11-2-4-13-10(8-11)6-7-20-13/h2-5,8-9H,6-7H2,1H3,(H2,16,17)
InChIKeyGOMGTBUFBVCOHQ-UHFFFAOYSA-N
MW269.30 g/mol
LogP1.88
Rot. Bonds2

About N-(6-amino-3-pyridinyl)-N-methyl-2,3-dihydro-1-benzofuran-5-carboxamide

N-(6-amino-3-pyridinyl)-N-methyl-2,3-dihydro-1-benzofuran-5-carboxamide (PubChem CID 115274571) has the molecular formula C15H15N3O2 and a molecular weight of 269.30 g/mol. Its IUPAC name is N-(6-amino-3-pyridinyl)-N-methyl-2,3-dihydro-1-benzofuran-5-carboxamide.

Molecular Properties

Compound NameN-(6-amino-3-pyridinyl)-N-methyl-2,3-dihydro-1-benzofuran-5-carboxamide
PubChem CID115274571
Molecular FormulaC15H15N3O2
Molecular Weight269.30 g/mol
Exact Mass269.12
IUPAC NameN-(6-amino-3-pyridinyl)-N-methyl-2,3-dihydro-1-benzofuran-5-carboxamide
SMILESCN(C(=O)c1ccc2c(c1)CCO2)c1ccc(N)nc1
InChIInChI=1S/C15H15N3O2/c1-18(12-3-5-14(16)17-9-12)15(19)11-2-4-13-10(8-11)6-7-20-13/h2-5,8-9H,6-7H2,1H3,(H2,16,17)
InChIKeyGOMGTBUFBVCOHQ-UHFFFAOYSA-N
XLogP1.88
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-(2,3-dihydro-1-benzofuran-5-yl)-N-methylbenzamide
CID 115160758
N-(6-amino-3-pyridinyl)-N,3,4-trimethylbenzamide
CID 115268424
N-(4-bromo-3-methylphenyl)-N-methyl-2,3-dihydro-1-benzofuran-5-carboxamide
CID 86963089
N-(6-amino-3-pyridinyl)-4-fluoro-N-methylbenzamide
CID 115268417
N-(4-aminophenyl)-N-ethyl-2,3-dihydro-1-benzofuran-5-carboxamide
CID 63233821
N-(2-aminopropyl)-N-methyl-2,3-dihydro-1-benzofuran-5-carboxamide
CID 63755933
2,3-dihydro-1-benzofuran-5-carboxylic acid
CID 676583
N-[(6-chloro-3-pyridinyl)methyl]-N-methyl-2,3-dihydro-1-benzofuran-5-carboxamide
CID 86925206
N-(2,3-dihydro-1-benzofuran-5-yl)-N-methylcarbamoyl chloride
CID 115194555
2,3-dihydro-1-benzofuran-5-yl-[4-(methylamino)phenyl]methanone
CID 116917463
3-amino-1-(2,3-dihydro-1-benzofuran-5-yl)-1-methylurea
CID 115192561
N-[4-(2,3-dihydro-1-benzofuran-5-carbonyl)phenyl]-N-methylformamide
CID 62199751

Frequently Asked Questions

What is the IUPAC name of N-(6-amino-3-pyridinyl)-N-methyl-2,3-dihydro-1-benzofuran-5-carboxamide?
The IUPAC name of N-(6-amino-3-pyridinyl)-N-methyl-2,3-dihydro-1-benzofuran-5-carboxamide (CID 115274571) is N-(6-amino-3-pyridinyl)-N-methyl-2,3-dihydro-1-benzofuran-5-carboxamide.
What is the SMILES notation for N-(6-amino-3-pyridinyl)-N-methyl-2,3-dihydro-1-benzofuran-5-carboxamide?
The canonical SMILES for N-(6-amino-3-pyridinyl)-N-methyl-2,3-dihydro-1-benzofuran-5-carboxamide is CN(C(=O)c1ccc2c(c1)CCO2)c1ccc(N)nc1.
What is the InChIKey of N-(6-amino-3-pyridinyl)-N-methyl-2,3-dihydro-1-benzofuran-5-carboxamide?
The InChIKey is GOMGTBUFBVCOHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O2/c1-18(12-3-5-14(16)17-9-12)15(19)11-2-4-13-10(8-11)6-7-20-13/h2-5,8-9H,6-7H2,1H3,(H2,16,17).
What are the key properties of N-(6-amino-3-pyridinyl)-N-methyl-2,3-dihydro-1-benzofuran-5-carboxamide?
N-(6-amino-3-pyridinyl)-N-methyl-2,3-dihydro-1-benzofuran-5-carboxamide has a molecular weight of 269.30 g/mol, XLogP of 1.88, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-amino-3-pyridinyl)-N-methyl-2,3-dihydro-1-benzofuran-5-carboxamide is sourced from PubChem (CID 115274571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).