N-cyclopentyl-2-(3,4-dihydro-1H-isochromen-1-yl)-N-pyridin-2-ylacetamide

C21H24N2O2 — CID 122138030

IUPACN-cyclopentyl-2-(3,4-dihydro-1H-isochromen-1-yl)-N-pyridin-2-ylacetamide
SMILESO=C(CC1OCCc2ccccc21)N(c1ccccn1)C1CCCC1
InChIInChI=1S/C21H24N2O2/c24-21(15-19-18-10-4-1-7-16(18)12-14-25-19)23(17-8-2-3-9-17)20-11-5-6-13-22-20/h1,4-7,10-11,13,17,19H,2-3,8-9,12,14-15H2
InChIKeyYVAGDCMKDUECPM-UHFFFAOYSA-N
MW336.43 g/mol
LogP4.06
Rot. Bonds4

About N-cyclopentyl-2-(3,4-dihydro-1H-isochromen-1-yl)-N-pyridin-2-ylacetamide

N-cyclopentyl-2-(3,4-dihydro-1H-isochromen-1-yl)-N-pyridin-2-ylacetamide (PubChem CID 122138030) has the molecular formula C21H24N2O2 and a molecular weight of 336.43 g/mol. Its IUPAC name is N-cyclopentyl-2-(3,4-dihydro-1H-isochromen-1-yl)-N-pyridin-2-ylacetamide.

Molecular Properties

Compound NameN-cyclopentyl-2-(3,4-dihydro-1H-isochromen-1-yl)-N-pyridin-2-ylacetamide
PubChem CID122138030
Molecular FormulaC21H24N2O2
Molecular Weight336.43 g/mol
Exact Mass336.18
IUPAC NameN-cyclopentyl-2-(3,4-dihydro-1H-isochromen-1-yl)-N-pyridin-2-ylacetamide
SMILESO=C(CC1OCCc2ccccc21)N(c1ccccn1)C1CCCC1
InChIInChI=1S/C21H24N2O2/c24-21(15-19-18-10-4-1-7-16(18)12-14-25-19)23(17-8-2-3-9-17)20-11-5-6-13-22-20/h1,4-7,10-11,13,17,19H,2-3,8-9,12,14-15H2
InChIKeyYVAGDCMKDUECPM-UHFFFAOYSA-N
XLogP4.06
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.43
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(1S)-3,4-dihydro-1H-isochromen-1-yl]-N-(2-methoxyethyl)-N-(pyridin-2-ylmethyl)acetamide
CID 96551195
N-cyclopropyl-2-[(1R)-3,4-dihydro-1H-isochromen-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 95628255
1-cyclohexylsulfanyl-3-(3,4-dihydro-1H-isochromen-1-yl)propan-2-one
CID 65139975
N-[2-(cycloheptylamino)ethyl]-2-(3,4-dihydro-1H-isochromen-1-yl)acetamide
CID 119621137
2-(3,4-dihydro-1H-isochromen-1-yl)-1-pyridazin-4-ylethanone
CID 114984026
2-(3,4-dihydro-1H-isochromen-1-yl)-1-(thiolan-2-yl)ethanone
CID 80621935
2-(3,4-dihydro-1H-isochromen-1-yl)-N-methyl-N-thieno[3,2-d]pyrimidin-4-ylacetamide
CID 71999315
N-(1-aminopropan-2-yl)-2-(3,4-dihydro-1H-isochromen-1-yl)-N-methylacetamide
CID 119584702
2-(3,4-dihydro-1H-isochromen-1-yl)-1-(5-fluoro-2-pyridinyl)ethanone
CID 79723675
1-(5-bromo-2-pyridinyl)-2-(3,4-dihydro-1H-isochromen-1-yl)ethanone
CID 114982980
N-[2-(cycloheptylamino)ethyl]-2-(3,4-dihydro-1H-isochromen-1-yl)acetamide;hydrochloride
CID 119621136
3-[[2-[(1R)-3,4-dihydro-1H-isochromen-1-yl]acetyl]-[[(2R)-oxolan-2-yl]methyl]amino]propanoic acid
CID 125153586

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-(3,4-dihydro-1H-isochromen-1-yl)-N-pyridin-2-ylacetamide?
The IUPAC name of N-cyclopentyl-2-(3,4-dihydro-1H-isochromen-1-yl)-N-pyridin-2-ylacetamide (CID 122138030) is N-cyclopentyl-2-(3,4-dihydro-1H-isochromen-1-yl)-N-pyridin-2-ylacetamide.
What is the SMILES notation for N-cyclopentyl-2-(3,4-dihydro-1H-isochromen-1-yl)-N-pyridin-2-ylacetamide?
The canonical SMILES for N-cyclopentyl-2-(3,4-dihydro-1H-isochromen-1-yl)-N-pyridin-2-ylacetamide is O=C(CC1OCCc2ccccc21)N(c1ccccn1)C1CCCC1.
What is the InChIKey of N-cyclopentyl-2-(3,4-dihydro-1H-isochromen-1-yl)-N-pyridin-2-ylacetamide?
The InChIKey is YVAGDCMKDUECPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O2/c24-21(15-19-18-10-4-1-7-16(18)12-14-25-19)23(17-8-2-3-9-17)20-11-5-6-13-22-20/h1,4-7,10-11,13,17,19H,2-3,8-9,12,14-15H2.
What are the key properties of N-cyclopentyl-2-(3,4-dihydro-1H-isochromen-1-yl)-N-pyridin-2-ylacetamide?
N-cyclopentyl-2-(3,4-dihydro-1H-isochromen-1-yl)-N-pyridin-2-ylacetamide has a molecular weight of 336.43 g/mol, XLogP of 4.06, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-(3,4-dihydro-1H-isochromen-1-yl)-N-pyridin-2-ylacetamide is sourced from PubChem (CID 122138030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).