6-methyl-N-[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]pyridine-3-carboxamide

C19H22N2O3 — CID 60574803

IUPAC6-methyl-N-[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]pyridine-3-carboxamide
SMILESCc1ccc(NC(=O)c2ccc(C)nc2)c(OCC2CCCO2)c1
InChIInChI=1S/C19H22N2O3/c1-13-5-8-17(18(10-13)24-12-16-4-3-9-23-16)21-19(22)15-7-6-14(2)20-11-15/h5-8,10-11,16H,3-4,9,12H2,1-2H3,(H,21,22)
InChIKeyNULJZBZWOKRHGK-UHFFFAOYSA-N
MW326.40 g/mol
LogP3.51
Rot. Bonds5

About 6-methyl-N-[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]pyridine-3-carboxamide

6-methyl-N-[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]pyridine-3-carboxamide (PubChem CID 60574803) has the molecular formula C19H22N2O3 and a molecular weight of 326.40 g/mol. Its IUPAC name is 6-methyl-N-[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-methyl-N-[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]pyridine-3-carboxamide
PubChem CID60574803
Molecular FormulaC19H22N2O3
Molecular Weight326.40 g/mol
Exact Mass326.16
IUPAC Name6-methyl-N-[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]pyridine-3-carboxamide
SMILESCc1ccc(NC(=O)c2ccc(C)nc2)c(OCC2CCCO2)c1
InChIInChI=1S/C19H22N2O3/c1-13-5-8-17(18(10-13)24-12-16-4-3-9-23-16)21-19(22)15-7-6-14(2)20-11-15/h5-8,10-11,16H,3-4,9,12H2,1-2H3,(H,21,22)
InChIKeyNULJZBZWOKRHGK-UHFFFAOYSA-N
XLogP3.51
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(aminomethyl)-N-[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]benzamide
CID 119300251
N-[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]-4-methylsulfonylbenzamide
CID 166192418
4-[[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]carbamoyl]pyridine-2-carboxylic acid
CID 119182039
5-[[4-methyl-2-[[(2S)-oxolan-2-yl]methoxy]phenyl]carbamoyl]furan-2-carboxylic acid
CID 129466833
4-methyl-N-[2-[[(2S)-oxolan-2-yl]methoxy]phenyl]benzamide
CID 41386200
4-amino-N-[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]-3-nitrobenzamide
CID 60574876
3-methyl-N-[4-methyl-2-[[(2R)-oxolan-2-yl]methoxy]phenyl]butanamide
CID 94621924
1-methyl-3-[4-methyl-2-[[(2R)-oxolan-2-yl]methoxy]phenyl]-1-[[(2S)-oxolan-2-yl]methyl]urea
CID 95259007
N-[4-methyl-2-[[(2R)-oxolan-2-yl]methoxy]phenyl]-5-nitrofuran-2-carboxamide
CID 94646470
2-ethyl-5-[[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]carbamoyl]furan-3-carboxylic acid
CID 120821321
7-amino-N-[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]heptanamide
CID 119743232
(3S)-1-methyl-N-[4-methyl-2-[[(2R)-oxolan-2-yl]methoxy]phenyl]-5-oxopyrrolidine-3-carboxamide
CID 94646530

Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]pyridine-3-carboxamide?
The IUPAC name of 6-methyl-N-[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]pyridine-3-carboxamide (CID 60574803) is 6-methyl-N-[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-methyl-N-[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]pyridine-3-carboxamide?
The canonical SMILES for 6-methyl-N-[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]pyridine-3-carboxamide is Cc1ccc(NC(=O)c2ccc(C)nc2)c(OCC2CCCO2)c1.
What is the InChIKey of 6-methyl-N-[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]pyridine-3-carboxamide?
The InChIKey is NULJZBZWOKRHGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3/c1-13-5-8-17(18(10-13)24-12-16-4-3-9-23-16)21-19(22)15-7-6-14(2)20-11-15/h5-8,10-11,16H,3-4,9,12H2,1-2H3,(H,21,22).
What are the key properties of 6-methyl-N-[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]pyridine-3-carboxamide?
6-methyl-N-[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]pyridine-3-carboxamide has a molecular weight of 326.40 g/mol, XLogP of 3.51, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 60574803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).