1-cyclopropyl-N,4-dimethyl-2-oxo-N-[2-(2,3,5-trimethylphenoxy)ethyl]pyridine-3-carboxamide

C22H28N2O3 — CID 172668705

IUPAC1-cyclopropyl-N,4-dimethyl-2-oxo-N-[2-(2,3,5-trimethylphenoxy)ethyl]pyridine-3-carboxamide
SMILESCc1cc(C)c(C)c(OCCN(C)C(=O)c2c(C)ccn(C3CC3)c2=O)c1
InChIInChI=1S/C22H28N2O3/c1-14-12-16(3)17(4)19(13-14)27-11-10-23(5)21(25)20-15(2)8-9-24(22(20)26)18-6-7-18/h8-9,12-13,18H,6-7,10-11H2,1-5H3
InChIKeyVSSUHOMLPFZEAI-UHFFFAOYSA-N
MW368.48 g/mol
LogP3.57
Rot. Bonds6

About 1-cyclopropyl-N,4-dimethyl-2-oxo-N-[2-(2,3,5-trimethylphenoxy)ethyl]pyridine-3-carboxamide

1-cyclopropyl-N,4-dimethyl-2-oxo-N-[2-(2,3,5-trimethylphenoxy)ethyl]pyridine-3-carboxamide (PubChem CID 172668705) has the molecular formula C22H28N2O3 and a molecular weight of 368.48 g/mol. Its IUPAC name is 1-cyclopropyl-N,4-dimethyl-2-oxo-N-[2-(2,3,5-trimethylphenoxy)ethyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name1-cyclopropyl-N,4-dimethyl-2-oxo-N-[2-(2,3,5-trimethylphenoxy)ethyl]pyridine-3-carboxamide
PubChem CID172668705
Molecular FormulaC22H28N2O3
Molecular Weight368.48 g/mol
Exact Mass368.21
IUPAC Name1-cyclopropyl-N,4-dimethyl-2-oxo-N-[2-(2,3,5-trimethylphenoxy)ethyl]pyridine-3-carboxamide
SMILESCc1cc(C)c(C)c(OCCN(C)C(=O)c2c(C)ccn(C3CC3)c2=O)c1
InChIInChI=1S/C22H28N2O3/c1-14-12-16(3)17(4)19(13-14)27-11-10-23(5)21(25)20-15(2)8-9-24(22(20)26)18-6-7-18/h8-9,12-13,18H,6-7,10-11H2,1-5H3
InChIKeyVSSUHOMLPFZEAI-UHFFFAOYSA-N
XLogP3.57
TPSA51.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyclopropyl-N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N,4-dimethyl-2-oxopyridine-3-carboxamide
CID 172655430
1-cyclopropyl-N,4-dimethyl-2-oxo-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]pyridine-3-carboxamide
CID 172669335
1-cyclopropyl-N-[(1,5-dimethylindazol-3-yl)methyl]-4-methyl-2-oxopyridine-3-carboxamide
CID 172664883
N,4-dimethyl-2-oxo-1-piperidin-4-yl-N-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]pyridine-3-carboxamide;hydrochloride
CID 172911318
N-(2-pyrrolidin-3-ylethyl)-3-(2,3,5-trimethylphenoxy)propanamide
CID 119534432
3-(2,3,5-trimethylphenoxy)propanehydrazide
CID 63575558
1-[2-(aminomethyl)pyrrolidin-1-yl]-3-(2,3,5-trimethylphenoxy)propan-1-one;hydrochloride
CID 119631733
1-(3-aminopiperidin-1-yl)-3-(2,3,5-trimethylphenoxy)propan-1-one
CID 119378169
N-[(1-hydroxycyclobutyl)methyl]-3-(2,3,5-trimethylphenoxy)propanamide
CID 111539630
1-amino-2-[2-(2,3,5-trimethylphenoxy)ethyl]cyclopentane-1-carboxamide
CID 79586493
1-cyclopropyl-4-methyl-N-[(5-methylthiophen-2-yl)methyl]-2-oxo-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide
CID 172659790
2-(azetidin-3-yl)-N-methyl-N-[2-(2-methylphenoxy)ethyl]propanamide
CID 116676237

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N,4-dimethyl-2-oxo-N-[2-(2,3,5-trimethylphenoxy)ethyl]pyridine-3-carboxamide?
The IUPAC name of 1-cyclopropyl-N,4-dimethyl-2-oxo-N-[2-(2,3,5-trimethylphenoxy)ethyl]pyridine-3-carboxamide (CID 172668705) is 1-cyclopropyl-N,4-dimethyl-2-oxo-N-[2-(2,3,5-trimethylphenoxy)ethyl]pyridine-3-carboxamide.
What is the SMILES notation for 1-cyclopropyl-N,4-dimethyl-2-oxo-N-[2-(2,3,5-trimethylphenoxy)ethyl]pyridine-3-carboxamide?
The canonical SMILES for 1-cyclopropyl-N,4-dimethyl-2-oxo-N-[2-(2,3,5-trimethylphenoxy)ethyl]pyridine-3-carboxamide is Cc1cc(C)c(C)c(OCCN(C)C(=O)c2c(C)ccn(C3CC3)c2=O)c1.
What is the InChIKey of 1-cyclopropyl-N,4-dimethyl-2-oxo-N-[2-(2,3,5-trimethylphenoxy)ethyl]pyridine-3-carboxamide?
The InChIKey is VSSUHOMLPFZEAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O3/c1-14-12-16(3)17(4)19(13-14)27-11-10-23(5)21(25)20-15(2)8-9-24(22(20)26)18-6-7-18/h8-9,12-13,18H,6-7,10-11H2,1-5H3.
What are the key properties of 1-cyclopropyl-N,4-dimethyl-2-oxo-N-[2-(2,3,5-trimethylphenoxy)ethyl]pyridine-3-carboxamide?
1-cyclopropyl-N,4-dimethyl-2-oxo-N-[2-(2,3,5-trimethylphenoxy)ethyl]pyridine-3-carboxamide has a molecular weight of 368.48 g/mol, XLogP of 3.57, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N,4-dimethyl-2-oxo-N-[2-(2,3,5-trimethylphenoxy)ethyl]pyridine-3-carboxamide is sourced from PubChem (CID 172668705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).