N-[[(3S)-3,4-dihydro-2H-chromen-3-yl]methyl]-1,4,6-trimethyl-2-oxopyridine-3-carboxamide

C19H22N2O3 — CID 97129298

IUPACN-[[(3S)-3,4-dihydro-2H-chromen-3-yl]methyl]-1,4,6-trimethyl-2-oxopyridine-3-carboxamide
SMILESCc1cc(C)n(C)c(=O)c1C(=O)NC[C@H]1COc2ccccc2C1
InChIInChI=1S/C19H22N2O3/c1-12-8-13(2)21(3)19(23)17(12)18(22)20-10-14-9-15-6-4-5-7-16(15)24-11-14/h4-8,14H,9-11H2,1-3H3,(H,20,22)/t14-/m0/s1
InChIKeyZOJLTVVUSHFKEI-AWEZNQCLSA-N
MW326.40 g/mol
LogP1.98
Rot. Bonds3

About N-[[(3S)-3,4-dihydro-2H-chromen-3-yl]methyl]-1,4,6-trimethyl-2-oxopyridine-3-carboxamide

N-[[(3S)-3,4-dihydro-2H-chromen-3-yl]methyl]-1,4,6-trimethyl-2-oxopyridine-3-carboxamide (PubChem CID 97129298) has the molecular formula C19H22N2O3 and a molecular weight of 326.40 g/mol. Its IUPAC name is N-[[(3S)-3,4-dihydro-2H-chromen-3-yl]methyl]-1,4,6-trimethyl-2-oxopyridine-3-carboxamide.

Molecular Properties

Compound NameN-[[(3S)-3,4-dihydro-2H-chromen-3-yl]methyl]-1,4,6-trimethyl-2-oxopyridine-3-carboxamide
PubChem CID97129298
Molecular FormulaC19H22N2O3
Molecular Weight326.40 g/mol
Exact Mass326.16
IUPAC NameN-[[(3S)-3,4-dihydro-2H-chromen-3-yl]methyl]-1,4,6-trimethyl-2-oxopyridine-3-carboxamide
SMILESCc1cc(C)n(C)c(=O)c1C(=O)NC[C@H]1COc2ccccc2C1
InChIInChI=1S/C19H22N2O3/c1-12-8-13(2)21(3)19(23)17(12)18(22)20-10-14-9-15-6-4-5-7-16(15)24-11-14/h4-8,14H,9-11H2,1-3H3,(H,20,22)/t14-/m0/s1
InChIKeyZOJLTVVUSHFKEI-AWEZNQCLSA-N
XLogP1.98
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-[[(3S)-3,4-dihydro-2H-chromen-3-yl]methyl]-1,4,6-trimethyl-2-oxopyridine-3-carboxamide?
The IUPAC name of N-[[(3S)-3,4-dihydro-2H-chromen-3-yl]methyl]-1,4,6-trimethyl-2-oxopyridine-3-carboxamide (CID 97129298) is N-[[(3S)-3,4-dihydro-2H-chromen-3-yl]methyl]-1,4,6-trimethyl-2-oxopyridine-3-carboxamide.
What is the SMILES notation for N-[[(3S)-3,4-dihydro-2H-chromen-3-yl]methyl]-1,4,6-trimethyl-2-oxopyridine-3-carboxamide?
The canonical SMILES for N-[[(3S)-3,4-dihydro-2H-chromen-3-yl]methyl]-1,4,6-trimethyl-2-oxopyridine-3-carboxamide is Cc1cc(C)n(C)c(=O)c1C(=O)NC[C@H]1COc2ccccc2C1.
What is the InChIKey of N-[[(3S)-3,4-dihydro-2H-chromen-3-yl]methyl]-1,4,6-trimethyl-2-oxopyridine-3-carboxamide?
The InChIKey is ZOJLTVVUSHFKEI-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H22N2O3/c1-12-8-13(2)21(3)19(23)17(12)18(22)20-10-14-9-15-6-4-5-7-16(15)24-11-14/h4-8,14H,9-11H2,1-3H3,(H,20,22)/t14-/m0/s1.
What are the key properties of N-[[(3S)-3,4-dihydro-2H-chromen-3-yl]methyl]-1,4,6-trimethyl-2-oxopyridine-3-carboxamide?
N-[[(3S)-3,4-dihydro-2H-chromen-3-yl]methyl]-1,4,6-trimethyl-2-oxopyridine-3-carboxamide has a molecular weight of 326.40 g/mol, XLogP of 1.98, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3S)-3,4-dihydro-2H-chromen-3-yl]methyl]-1,4,6-trimethyl-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 97129298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).