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

C20H24N2O3 — CID 71856661

IUPAC6-methyl-N-[[4-methyl-2-(oxolan-3-ylmethoxy)phenyl]methyl]pyridine-3-carboxamide
SMILESCc1ccc(CNC(=O)c2ccc(C)nc2)c(OCC2CCOC2)c1
InChIInChI=1S/C20H24N2O3/c1-14-3-5-17(19(9-14)25-13-16-7-8-24-12-16)10-22-20(23)18-6-4-15(2)21-11-18/h3-6,9,11,16H,7-8,10,12-13H2,1-2H3,(H,22,23)
InChIKeyDOOQXAXDTBRKFQ-UHFFFAOYSA-N
MW340.42 g/mol
LogP3.04
Rot. Bonds6

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

6-methyl-N-[[4-methyl-2-(oxolan-3-ylmethoxy)phenyl]methyl]pyridine-3-carboxamide (PubChem CID 71856661) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is 6-methyl-N-[[4-methyl-2-(oxolan-3-ylmethoxy)phenyl]methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-methyl-N-[[4-methyl-2-(oxolan-3-ylmethoxy)phenyl]methyl]pyridine-3-carboxamide
PubChem CID71856661
Molecular FormulaC20H24N2O3
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC Name6-methyl-N-[[4-methyl-2-(oxolan-3-ylmethoxy)phenyl]methyl]pyridine-3-carboxamide
SMILESCc1ccc(CNC(=O)c2ccc(C)nc2)c(OCC2CCOC2)c1
InChIInChI=1S/C20H24N2O3/c1-14-3-5-17(19(9-14)25-13-16-7-8-24-12-16)10-22-20(23)18-6-4-15(2)21-11-18/h3-6,9,11,16H,7-8,10,12-13H2,1-2H3,(H,22,23)
InChIKeyDOOQXAXDTBRKFQ-UHFFFAOYSA-N
XLogP3.04
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[4-methyl-2-[[(3S)-oxolan-3-yl]methoxy]phenyl]methyl]-1,2-oxazole-3-carboxamide
CID 97052061
5-methyl-N-[[4-methyl-2-(oxolan-3-ylmethoxy)phenyl]methyl]-1,2-oxazole-3-carboxamide
CID 71921983
5-[[2-(cyclopropylmethoxy)-4-methylphenyl]methylcarbamoyl]pyridine-2-carboxylic acid
CID 119159652
1-ethyl-1-methyl-3-[[4-methyl-2-[[(3S)-oxolan-3-yl]methoxy]phenyl]methyl]urea
CID 97055346
(2R,3S)-2-methyl-N-[[4-methyl-2-(oxolan-3-ylmethoxy)phenyl]methyl]morpholine-3-carboxamide;hydrochloride
CID 120936179
N-[[4-methyl-2-(oxolan-3-ylmethoxy)phenyl]methyl]-2-azabicyclo[2.2.1]heptane-2-carboxamide
CID 71972558
2-methyl-N-[[4-methyl-2-(oxolan-3-ylmethoxy)phenyl]methyl]piperidine-2-carboxamide
CID 86814910
N-[[4-methyl-2-(oxolan-3-ylmethoxy)phenyl]methyl]-N'-[4-(1H-pyrazol-5-yl)phenyl]oxamide
CID 166205715
3-amino-N-[[2-(cyclopropylmethoxy)-4-methylphenyl]methyl]benzamide
CID 119811442
5-[[4-methyl-2-(oxolan-3-ylmethoxy)phenyl]methylamino]pyrazine-2-carbonitrile
CID 133490946
6-[[4-methyl-2-[[(3S)-oxolan-3-yl]methoxy]phenyl]methylamino]pyridine-3-carbonitrile
CID 97070107
N-[[4-methyl-2-(oxolan-3-ylmethoxy)phenyl]methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120936185

Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-[[4-methyl-2-(oxolan-3-ylmethoxy)phenyl]methyl]pyridine-3-carboxamide?
The IUPAC name of 6-methyl-N-[[4-methyl-2-(oxolan-3-ylmethoxy)phenyl]methyl]pyridine-3-carboxamide (CID 71856661) is 6-methyl-N-[[4-methyl-2-(oxolan-3-ylmethoxy)phenyl]methyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-methyl-N-[[4-methyl-2-(oxolan-3-ylmethoxy)phenyl]methyl]pyridine-3-carboxamide?
The canonical SMILES for 6-methyl-N-[[4-methyl-2-(oxolan-3-ylmethoxy)phenyl]methyl]pyridine-3-carboxamide is Cc1ccc(CNC(=O)c2ccc(C)nc2)c(OCC2CCOC2)c1.
What is the InChIKey of 6-methyl-N-[[4-methyl-2-(oxolan-3-ylmethoxy)phenyl]methyl]pyridine-3-carboxamide?
The InChIKey is DOOQXAXDTBRKFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3/c1-14-3-5-17(19(9-14)25-13-16-7-8-24-12-16)10-22-20(23)18-6-4-15(2)21-11-18/h3-6,9,11,16H,7-8,10,12-13H2,1-2H3,(H,22,23).
What are the key properties of 6-methyl-N-[[4-methyl-2-(oxolan-3-ylmethoxy)phenyl]methyl]pyridine-3-carboxamide?
6-methyl-N-[[4-methyl-2-(oxolan-3-ylmethoxy)phenyl]methyl]pyridine-3-carboxamide has a molecular weight of 340.42 g/mol, XLogP of 3.04, 6 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-3-ylmethoxy)phenyl]methyl]pyridine-3-carboxamide is sourced from PubChem (CID 71856661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).