N-(3,4-dihydro-1H-isochromen-3-ylmethyl)-N,1-dimethyl-2-oxopyridine-3-carboxamide

C18H20N2O3 — CID 91626557

IUPACN-(3,4-dihydro-1H-isochromen-3-ylmethyl)-N,1-dimethyl-2-oxopyridine-3-carboxamide
SMILESCN(CC1Cc2ccccc2CO1)C(=O)c1cccn(C)c1=O
InChIInChI=1S/C18H20N2O3/c1-19-9-5-8-16(17(19)21)18(22)20(2)11-15-10-13-6-3-4-7-14(13)12-23-15/h3-9,15H,10-12H2,1-2H3
InChIKeyMKTROZZTANZUPH-UHFFFAOYSA-N
MW312.37 g/mol
LogP1.60
Rot. Bonds3

About N-(3,4-dihydro-1H-isochromen-3-ylmethyl)-N,1-dimethyl-2-oxopyridine-3-carboxamide

N-(3,4-dihydro-1H-isochromen-3-ylmethyl)-N,1-dimethyl-2-oxopyridine-3-carboxamide (PubChem CID 91626557) has the molecular formula C18H20N2O3 and a molecular weight of 312.37 g/mol. Its IUPAC name is N-(3,4-dihydro-1H-isochromen-3-ylmethyl)-N,1-dimethyl-2-oxopyridine-3-carboxamide.

Molecular Properties

Compound NameN-(3,4-dihydro-1H-isochromen-3-ylmethyl)-N,1-dimethyl-2-oxopyridine-3-carboxamide
PubChem CID91626557
Molecular FormulaC18H20N2O3
Molecular Weight312.37 g/mol
Exact Mass312.15
IUPAC NameN-(3,4-dihydro-1H-isochromen-3-ylmethyl)-N,1-dimethyl-2-oxopyridine-3-carboxamide
SMILESCN(CC1Cc2ccccc2CO1)C(=O)c1cccn(C)c1=O
InChIInChI=1S/C18H20N2O3/c1-19-9-5-8-16(17(19)21)18(22)20(2)11-15-10-13-6-3-4-7-14(13)12-23-15/h3-9,15H,10-12H2,1-2H3
InChIKeyMKTROZZTANZUPH-UHFFFAOYSA-N
XLogP1.60
TPSA51.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 2902614
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CID 5719477
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CID 91626554
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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dihydro-1H-isochromen-3-ylmethyl)-N,1-dimethyl-2-oxopyridine-3-carboxamide?
The IUPAC name of N-(3,4-dihydro-1H-isochromen-3-ylmethyl)-N,1-dimethyl-2-oxopyridine-3-carboxamide (CID 91626557) is N-(3,4-dihydro-1H-isochromen-3-ylmethyl)-N,1-dimethyl-2-oxopyridine-3-carboxamide.
What is the SMILES notation for N-(3,4-dihydro-1H-isochromen-3-ylmethyl)-N,1-dimethyl-2-oxopyridine-3-carboxamide?
The canonical SMILES for N-(3,4-dihydro-1H-isochromen-3-ylmethyl)-N,1-dimethyl-2-oxopyridine-3-carboxamide is CN(CC1Cc2ccccc2CO1)C(=O)c1cccn(C)c1=O.
What is the InChIKey of N-(3,4-dihydro-1H-isochromen-3-ylmethyl)-N,1-dimethyl-2-oxopyridine-3-carboxamide?
The InChIKey is MKTROZZTANZUPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3/c1-19-9-5-8-16(17(19)21)18(22)20(2)11-15-10-13-6-3-4-7-14(13)12-23-15/h3-9,15H,10-12H2,1-2H3.
What are the key properties of N-(3,4-dihydro-1H-isochromen-3-ylmethyl)-N,1-dimethyl-2-oxopyridine-3-carboxamide?
N-(3,4-dihydro-1H-isochromen-3-ylmethyl)-N,1-dimethyl-2-oxopyridine-3-carboxamide has a molecular weight of 312.37 g/mol, XLogP of 1.60, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dihydro-1H-isochromen-3-ylmethyl)-N,1-dimethyl-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 91626557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).