N-[[(3R)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-3-(2-methyl-6-oxo-1-pyridinyl)propanamide

C20H24N2O4 — CID 97192487

IUPACN-[[(3R)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-3-(2-methyl-6-oxo-1-pyridinyl)propanamide
SMILESCOc1cccc2c1OC[C@@H](CNC(=O)CCn1c(C)cccc1=O)C2
InChIInChI=1S/C20H24N2O4/c1-14-5-3-8-19(24)22(14)10-9-18(23)21-12-15-11-16-6-4-7-17(25-2)20(16)26-13-15/h3-8,15H,9-13H2,1-2H3,(H,21,23)/t15-/m1/s1
InChIKeyZJJPHIPSPAUHDJ-OAHLLOKOSA-N
MW356.42 g/mol
LogP1.92
Rot. Bonds6

About N-[[(3R)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-3-(2-methyl-6-oxo-1-pyridinyl)propanamide

N-[[(3R)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-3-(2-methyl-6-oxo-1-pyridinyl)propanamide (PubChem CID 97192487) has the molecular formula C20H24N2O4 and a molecular weight of 356.42 g/mol. Its IUPAC name is N-[[(3R)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-3-(2-methyl-6-oxo-1-pyridinyl)propanamide.

Molecular Properties

Compound NameN-[[(3R)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-3-(2-methyl-6-oxo-1-pyridinyl)propanamide
PubChem CID97192487
Molecular FormulaC20H24N2O4
Molecular Weight356.42 g/mol
Exact Mass356.17
IUPAC NameN-[[(3R)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-3-(2-methyl-6-oxo-1-pyridinyl)propanamide
SMILESCOc1cccc2c1OC[C@@H](CNC(=O)CCn1c(C)cccc1=O)C2
InChIInChI=1S/C20H24N2O4/c1-14-5-3-8-19(24)22(14)10-9-18(23)21-12-15-11-16-6-4-7-17(25-2)20(16)26-13-15/h3-8,15H,9-13H2,1-2H3,(H,21,23)/t15-/m1/s1
InChIKeyZJJPHIPSPAUHDJ-OAHLLOKOSA-N
XLogP1.92
TPSA69.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.42
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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N-[[(3R)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-1,3-dimethyl-2,6-dioxopyrimidine-4-carboxamide
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3-[4-(dimethylamino)phenyl]-N-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]propanamide
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Frequently Asked Questions

What is the IUPAC name of N-[[(3R)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-3-(2-methyl-6-oxo-1-pyridinyl)propanamide?
The IUPAC name of N-[[(3R)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-3-(2-methyl-6-oxo-1-pyridinyl)propanamide (CID 97192487) is N-[[(3R)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-3-(2-methyl-6-oxo-1-pyridinyl)propanamide.
What is the SMILES notation for N-[[(3R)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-3-(2-methyl-6-oxo-1-pyridinyl)propanamide?
The canonical SMILES for N-[[(3R)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-3-(2-methyl-6-oxo-1-pyridinyl)propanamide is COc1cccc2c1OC[C@@H](CNC(=O)CCn1c(C)cccc1=O)C2.
What is the InChIKey of N-[[(3R)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-3-(2-methyl-6-oxo-1-pyridinyl)propanamide?
The InChIKey is ZJJPHIPSPAUHDJ-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H24N2O4/c1-14-5-3-8-19(24)22(14)10-9-18(23)21-12-15-11-16-6-4-7-17(25-2)20(16)26-13-15/h3-8,15H,9-13H2,1-2H3,(H,21,23)/t15-/m1/s1.
What are the key properties of N-[[(3R)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-3-(2-methyl-6-oxo-1-pyridinyl)propanamide?
N-[[(3R)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-3-(2-methyl-6-oxo-1-pyridinyl)propanamide has a molecular weight of 356.42 g/mol, XLogP of 1.92, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3R)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-3-(2-methyl-6-oxo-1-pyridinyl)propanamide is sourced from PubChem (CID 97192487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).