N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2-pyrrolidin-1-ylpyridine-3-carboxamide

C19H21N3O2 — CID 53499843

IUPACN-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2-pyrrolidin-1-ylpyridine-3-carboxamide
SMILESO=C(NCC1Cc2ccccc2O1)c1cccnc1N1CCCC1
InChIInChI=1S/C19H21N3O2/c23-19(16-7-5-9-20-18(16)22-10-3-4-11-22)21-13-15-12-14-6-1-2-8-17(14)24-15/h1-2,5-9,15H,3-4,10-13H2,(H,21,23)
InChIKeyTVEXEWLUEMBGIT-UHFFFAOYSA-N
MW323.40 g/mol
LogP2.42
Rot. Bonds4

About N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2-pyrrolidin-1-ylpyridine-3-carboxamide

N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2-pyrrolidin-1-ylpyridine-3-carboxamide (PubChem CID 53499843) has the molecular formula C19H21N3O2 and a molecular weight of 323.40 g/mol. Its IUPAC name is N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2-pyrrolidin-1-ylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2-pyrrolidin-1-ylpyridine-3-carboxamide
PubChem CID53499843
Molecular FormulaC19H21N3O2
Molecular Weight323.40 g/mol
Exact Mass323.16
IUPAC NameN-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2-pyrrolidin-1-ylpyridine-3-carboxamide
SMILESO=C(NCC1Cc2ccccc2O1)c1cccnc1N1CCCC1
InChIInChI=1S/C19H21N3O2/c23-19(16-7-5-9-20-18(16)22-10-3-4-11-22)21-13-15-12-14-6-1-2-8-17(14)24-15/h1-2,5-9,15H,3-4,10-13H2,(H,21,23)
InChIKeyTVEXEWLUEMBGIT-UHFFFAOYSA-N
XLogP2.42
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(azepan-1-yl)-N-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]pyridine-3-carboxamide
CID 37298499
2-(azepan-1-yl)-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide
CID 3192331
N-(oxolan-2-ylmethyl)-2-piperidin-1-ylpyridine-3-carboxamide
CID 3192318
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2-fluoro-3-methylbenzamide
CID 80710892
N-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]-6-morpholin-4-ylpyridine-3-carboxamide
CID 37298475
1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-(6-pyrrolidin-1-yl-3-pyridinyl)urea
CID 53499736
2-(cyclopropylmethoxy)-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)benzamide
CID 86877169
N-ethyl-2-piperidin-1-ylpyridine-3-carboxamide
CID 47231439
N-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-sulfanylidene-1H-pyridine-3-carboxamide
CID 37294905
1-[3-[[[N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-N'-methylcarbamimidoyl]amino]methyl]-2-pyridinyl]piperidine-4-carboxamide
CID 111949099
4-amino-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)pyridine-2-carboxamide
CID 62232678
2-amino-5-bromo-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)pyridine-3-carboxamide
CID 62232676

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2-pyrrolidin-1-ylpyridine-3-carboxamide?
The IUPAC name of N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2-pyrrolidin-1-ylpyridine-3-carboxamide (CID 53499843) is N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2-pyrrolidin-1-ylpyridine-3-carboxamide.
What is the SMILES notation for N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2-pyrrolidin-1-ylpyridine-3-carboxamide?
The canonical SMILES for N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2-pyrrolidin-1-ylpyridine-3-carboxamide is O=C(NCC1Cc2ccccc2O1)c1cccnc1N1CCCC1.
What is the InChIKey of N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2-pyrrolidin-1-ylpyridine-3-carboxamide?
The InChIKey is TVEXEWLUEMBGIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2/c23-19(16-7-5-9-20-18(16)22-10-3-4-11-22)21-13-15-12-14-6-1-2-8-17(14)24-15/h1-2,5-9,15H,3-4,10-13H2,(H,21,23).
What are the key properties of N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2-pyrrolidin-1-ylpyridine-3-carboxamide?
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2-pyrrolidin-1-ylpyridine-3-carboxamide has a molecular weight of 323.40 g/mol, XLogP of 2.42, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2-pyrrolidin-1-ylpyridine-3-carboxamide is sourced from PubChem (CID 53499843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).