N-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]pyridine-3-carboxamide

C18H22N2O2 — CID 7303331

IUPACN-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]pyridine-3-carboxamide
SMILESCc1ccc(C(C)C)c(OCCNC(=O)c2cccnc2)c1
InChIInChI=1S/C18H22N2O2/c1-13(2)16-7-6-14(3)11-17(16)22-10-9-20-18(21)15-5-4-8-19-12-15/h4-8,11-13H,9-10H2,1-3H3,(H,20,21)
InChIKeyHUYGUEAKWPWASR-UHFFFAOYSA-N
MW298.39 g/mol
LogP3.32
Rot. Bonds6

About N-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]pyridine-3-carboxamide

N-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]pyridine-3-carboxamide (PubChem CID 7303331) has the molecular formula C18H22N2O2 and a molecular weight of 298.39 g/mol. Its IUPAC name is N-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]pyridine-3-carboxamide
PubChem CID7303331
Molecular FormulaC18H22N2O2
Molecular Weight298.39 g/mol
Exact Mass298.17
IUPAC NameN-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]pyridine-3-carboxamide
SMILESCc1ccc(C(C)C)c(OCCNC(=O)c2cccnc2)c1
InChIInChI=1S/C18H22N2O2/c1-13(2)16-7-6-14(3)11-17(16)22-10-9-20-18(21)15-5-4-8-19-12-15/h4-8,11-13H,9-10H2,1-3H3,(H,20,21)
InChIKeyHUYGUEAKWPWASR-UHFFFAOYSA-N
XLogP3.32
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

methyl N-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]carbamate
CID 4280995
2-(5-methyl-2-propan-2-ylphenoxy)-N-(1-pyridin-3-ylethylideneamino)acetamide
CID 3748878
3-(5-methyl-2-propan-2-ylphenoxy)-N-(pyridin-3-ylmethyl)propan-1-amine chloride
CID 53347743
N-[2-(3-chlorophenoxy)ethyl]pyridine-3-carboxamide
CID 113099430
N-[2-(propan-2-ylamino)ethyl]pyridine-3-carboxamide
CID 4235481
N-[3-[(3-methylbenzoyl)amino]propyl]pyridine-3-carboxamide
CID 2985562
N-[2-(3,5-difluorophenoxy)ethyl]pyridine-3-carboxamide
CID 110481998
N-[2-[1-[4-(5-methyl-2-propan-2-ylphenoxy)butyl]benzimidazol-2-yl]ethyl]benzamide
CID 16975813
2-(pyridine-3-carbonylamino)ethyl 2-(2,4,6-trimethylphenoxy)acetate
CID 2132796
N-[2-(2-methoxy-4,6-dimethylphenyl)ethyl]pyridine-3-carboxamide;hydrochloride
CID 110790885
N-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)methyl]pyridine-3-carboxamide;hydrochloride
CID 110781248
4-chloro-N-[2-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]ethyl]benzamide
CID 34992949

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]pyridine-3-carboxamide?
The IUPAC name of N-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]pyridine-3-carboxamide (CID 7303331) is N-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]pyridine-3-carboxamide?
The canonical SMILES for N-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]pyridine-3-carboxamide is Cc1ccc(C(C)C)c(OCCNC(=O)c2cccnc2)c1.
What is the InChIKey of N-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]pyridine-3-carboxamide?
The InChIKey is HUYGUEAKWPWASR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2/c1-13(2)16-7-6-14(3)11-17(16)22-10-9-20-18(21)15-5-4-8-19-12-15/h4-8,11-13H,9-10H2,1-3H3,(H,20,21).
What are the key properties of N-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]pyridine-3-carboxamide?
N-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]pyridine-3-carboxamide has a molecular weight of 298.39 g/mol, XLogP of 3.32, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]pyridine-3-carboxamide is sourced from PubChem (CID 7303331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).