N-(2,3-dihydro-1-benzofuran-5-ylmethyl)pyridine-4-carboxamide;hydrochloride

C15H15ClN2O2 — CID 110787070

IUPACN-(2,3-dihydro-1-benzofuran-5-ylmethyl)pyridine-4-carboxamide;hydrochloride
SMILESCl.O=C(NCc1ccc2c(c1)CCO2)c1ccncc1
InChIInChI=1S/C15H14N2O2.ClH/c18-15(12-3-6-16-7-4-12)17-10-11-1-2-14-13(9-11)5-8-19-14;/h1-4,6-7,9H,5,8,10H2,(H,17,18);1H
InChIKeySYCCFWDIQICAKU-UHFFFAOYSA-N
MW290.75 g/mol
LogP2.37
Rot. Bonds3

About N-(2,3-dihydro-1-benzofuran-5-ylmethyl)pyridine-4-carboxamide;hydrochloride

N-(2,3-dihydro-1-benzofuran-5-ylmethyl)pyridine-4-carboxamide;hydrochloride (PubChem CID 110787070) has the molecular formula C15H15ClN2O2 and a molecular weight of 290.75 g/mol. Its IUPAC name is N-(2,3-dihydro-1-benzofuran-5-ylmethyl)pyridine-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(2,3-dihydro-1-benzofuran-5-ylmethyl)pyridine-4-carboxamide;hydrochloride
PubChem CID110787070
Molecular FormulaC15H15ClN2O2
Molecular Weight290.75 g/mol
Exact Mass290.08
IUPAC NameN-(2,3-dihydro-1-benzofuran-5-ylmethyl)pyridine-4-carboxamide;hydrochloride
SMILESCl.O=C(NCc1ccc2c(c1)CCO2)c1ccncc1
InChIInChI=1S/C15H14N2O2.ClH/c18-15(12-3-6-16-7-4-12)17-10-11-1-2-14-13(9-11)5-8-19-14;/h1-4,6-7,9H,5,8,10H2,(H,17,18);1H
InChIKeySYCCFWDIQICAKU-UHFFFAOYSA-N
XLogP2.37
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.75
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)benzamide
CID 110787047
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-4-(dimethylamino)benzamide
CID 2738883
N-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)pyridine-4-carboxamide;hydrochloride
CID 110779703
N-(1,3-benzodioxol-5-ylmethyl)pyridine-4-carboxamide
CID 2089022
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3,4-difluorobenzamide
CID 110787075
3-chloro-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)benzamide
CID 110787066
3-acetamido-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)benzamide
CID 110795014
2-(2,3-dihydro-1-benzofuran-5-ylmethylamino)-2-oxoacetic acid
CID 115141351
N-[(4-fluorophenyl)methyl]-2,3-dihydro-1-benzofuran-5-carboxamide
CID 47160691
5-bromo-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)furan-2-carboxamide
CID 110795017
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
CID 119072224
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-sulfanylacetamide
CID 115167217

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1-benzofuran-5-ylmethyl)pyridine-4-carboxamide;hydrochloride?
The IUPAC name of N-(2,3-dihydro-1-benzofuran-5-ylmethyl)pyridine-4-carboxamide;hydrochloride (CID 110787070) is N-(2,3-dihydro-1-benzofuran-5-ylmethyl)pyridine-4-carboxamide;hydrochloride.
What is the SMILES notation for N-(2,3-dihydro-1-benzofuran-5-ylmethyl)pyridine-4-carboxamide;hydrochloride?
The canonical SMILES for N-(2,3-dihydro-1-benzofuran-5-ylmethyl)pyridine-4-carboxamide;hydrochloride is Cl.O=C(NCc1ccc2c(c1)CCO2)c1ccncc1.
What is the InChIKey of N-(2,3-dihydro-1-benzofuran-5-ylmethyl)pyridine-4-carboxamide;hydrochloride?
The InChIKey is SYCCFWDIQICAKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O2.ClH/c18-15(12-3-6-16-7-4-12)17-10-11-1-2-14-13(9-11)5-8-19-14;/h1-4,6-7,9H,5,8,10H2,(H,17,18);1H.
What are the key properties of N-(2,3-dihydro-1-benzofuran-5-ylmethyl)pyridine-4-carboxamide;hydrochloride?
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)pyridine-4-carboxamide;hydrochloride has a molecular weight of 290.75 g/mol, XLogP of 2.37, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1-benzofuran-5-ylmethyl)pyridine-4-carboxamide;hydrochloride is sourced from PubChem (CID 110787070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).