N-[[(3R)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-2,6-dimethylpyridine-4-carboxamide

C19H22N2O3 — CID 99929986

IUPACN-[[(3R)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-2,6-dimethylpyridine-4-carboxamide
SMILESCOc1cccc2c1OC[C@@H](CNC(=O)c1cc(C)nc(C)c1)C2
InChIInChI=1S/C19H22N2O3/c1-12-7-16(8-13(2)21-12)19(22)20-10-14-9-15-5-4-6-17(23-3)18(15)24-11-14/h4-8,14H,9-11H2,1-3H3,(H,20,22)/t14-/m1/s1
InChIKeyKTIXQWOJDLFZOV-CQSZACIVSA-N
MW326.40 g/mol
LogP2.69
Rot. Bonds4

About N-[[(3R)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-2,6-dimethylpyridine-4-carboxamide

N-[[(3R)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-2,6-dimethylpyridine-4-carboxamide (PubChem CID 99929986) has the molecular formula C19H22N2O3 and a molecular weight of 326.40 g/mol. Its IUPAC name is N-[[(3R)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-2,6-dimethylpyridine-4-carboxamide.

Molecular Properties

Compound NameN-[[(3R)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-2,6-dimethylpyridine-4-carboxamide
PubChem CID99929986
Molecular FormulaC19H22N2O3
Molecular Weight326.40 g/mol
Exact Mass326.16
IUPAC NameN-[[(3R)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-2,6-dimethylpyridine-4-carboxamide
SMILESCOc1cccc2c1OC[C@@H](CNC(=O)c1cc(C)nc(C)c1)C2
InChIInChI=1S/C19H22N2O3/c1-12-7-16(8-13(2)21-12)19(22)20-10-14-9-15-5-4-6-17(23-3)18(15)24-11-14/h4-8,14H,9-11H2,1-3H3,(H,20,22)/t14-/m1/s1
InChIKeyKTIXQWOJDLFZOV-CQSZACIVSA-N
XLogP2.69
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[(3S)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-5-(methoxymethyl)thiophene-2-carboxamide
CID 97275063
N-[[(3S)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-2-(methylamino)-1,3-thiazole-4-carboxamide
CID 97188775
N-[[(3R)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-3-oxo-2,4-dihydro-1H-quinoxaline-6-carboxamide
CID 97208878
N-[[(3S)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-2-morpholin-4-ylpyrimidine-5-carboxamide
CID 97275621
4-chloro-2-fluoro-N-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]benzamide
CID 72849484
N-[[(3R)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-3-methyl-1-propylpyrazole-4-carboxamide
CID 97208608
N-[[(3R)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-1,3-dimethyl-2,6-dioxopyrimidine-4-carboxamide
CID 97198807
N-[[(3R)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 97275977
N-[[(3R)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-5-(methylsulfanylmethyl)furan-2-carboxamide
CID 97207845
N-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]quinoline-5-carboxamide
CID 72926769
N-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]-5-methyl-1-propylpyrazole-4-carboxamide
CID 72868574
N-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]piperidine-1-carboxamide
CID 72877803

Frequently Asked Questions

What is the IUPAC name of N-[[(3R)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-2,6-dimethylpyridine-4-carboxamide?
The IUPAC name of N-[[(3R)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-2,6-dimethylpyridine-4-carboxamide (CID 99929986) is N-[[(3R)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-2,6-dimethylpyridine-4-carboxamide.
What is the SMILES notation for N-[[(3R)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-2,6-dimethylpyridine-4-carboxamide?
The canonical SMILES for N-[[(3R)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-2,6-dimethylpyridine-4-carboxamide is COc1cccc2c1OC[C@@H](CNC(=O)c1cc(C)nc(C)c1)C2.
What is the InChIKey of N-[[(3R)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-2,6-dimethylpyridine-4-carboxamide?
The InChIKey is KTIXQWOJDLFZOV-CQSZACIVSA-N. The full InChI is InChI=1S/C19H22N2O3/c1-12-7-16(8-13(2)21-12)19(22)20-10-14-9-15-5-4-6-17(23-3)18(15)24-11-14/h4-8,14H,9-11H2,1-3H3,(H,20,22)/t14-/m1/s1.
What are the key properties of N-[[(3R)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-2,6-dimethylpyridine-4-carboxamide?
N-[[(3R)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-2,6-dimethylpyridine-4-carboxamide has a molecular weight of 326.40 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3R)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-2,6-dimethylpyridine-4-carboxamide is sourced from PubChem (CID 99929986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).