N-[2-(4-propan-2-ylphenoxy)ethyl]-3-pyrrolidin-1-ylpyridine-4-carboxamide

C21H27N3O2 — CID 167775993

IUPACN-[2-(4-propan-2-ylphenoxy)ethyl]-3-pyrrolidin-1-ylpyridine-4-carboxamide
SMILESCC(C)c1ccc(OCCNC(=O)c2ccncc2N2CCCC2)cc1
InChIInChI=1S/C21H27N3O2/c1-16(2)17-5-7-18(8-6-17)26-14-11-23-21(25)19-9-10-22-15-20(19)24-12-3-4-13-24/h5-10,15-16H,3-4,11-14H2,1-2H3,(H,23,25)
InChIKeyMKMYFLKGWVMQEU-UHFFFAOYSA-N
MW353.47 g/mol
LogP3.61
Rot. Bonds7

About N-[2-(4-propan-2-ylphenoxy)ethyl]-3-pyrrolidin-1-ylpyridine-4-carboxamide

N-[2-(4-propan-2-ylphenoxy)ethyl]-3-pyrrolidin-1-ylpyridine-4-carboxamide (PubChem CID 167775993) has the molecular formula C21H27N3O2 and a molecular weight of 353.47 g/mol. Its IUPAC name is N-[2-(4-propan-2-ylphenoxy)ethyl]-3-pyrrolidin-1-ylpyridine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(4-propan-2-ylphenoxy)ethyl]-3-pyrrolidin-1-ylpyridine-4-carboxamide
PubChem CID167775993
Molecular FormulaC21H27N3O2
Molecular Weight353.47 g/mol
Exact Mass353.21
IUPAC NameN-[2-(4-propan-2-ylphenoxy)ethyl]-3-pyrrolidin-1-ylpyridine-4-carboxamide
SMILESCC(C)c1ccc(OCCNC(=O)c2ccncc2N2CCCC2)cc1
InChIInChI=1S/C21H27N3O2/c1-16(2)17-5-7-18(8-6-17)26-14-11-23-21(25)19-9-10-22-15-20(19)24-12-3-4-13-24/h5-10,15-16H,3-4,11-14H2,1-2H3,(H,23,25)
InChIKeyMKMYFLKGWVMQEU-UHFFFAOYSA-N
XLogP3.61
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(4-propan-2-ylphenoxy)ethyl]azepane-1-carboxamide
CID 112972579
N-(2-methoxyethyl)-5-[(4-propan-2-ylphenyl)carbamoylamino]-2-pyrrolidin-1-ylbenzamide
CID 42756351
2-bromo-N-[2-(4-propan-2-ylphenoxy)ethyl]benzamide
CID 113100328
1-(2-phenoxyethyl)-3-(4-pyrrolidin-1-yl-3-pyridinyl)urea
CID 86807516
2-ethyl-N-[2-(4-propan-2-ylphenoxy)ethyl]butanamide
CID 113100320
2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)-N-[2-(4-propan-2-ylphenoxy)ethyl]pyrrole-3-carboxamide
CID 112829749
1-amino-N-[2-(4-propan-2-ylphenoxy)ethyl]cyclopentane-1-carboxamide
CID 119296010
3-fluoro-N-(2-phenoxyethyl)pyridine-4-carboxamide
CID 115645467
2-hydroxy-N-[2-(4-propan-2-ylphenoxy)ethyl]acetamide
CID 94687173
N-(3-ethoxypropyl)-2-piperidin-1-yl-5-[(4-propan-2-ylphenyl)carbamoylamino]benzamide
CID 3992320
1-amino-N-[2-(4-propan-2-ylphenoxy)ethyl]cyclohexane-1-carboxamide
CID 119296017
2-(2-methoxyethylamino)-N-[2-(4-propan-2-ylphenoxy)ethyl]acetamide
CID 119735524

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-propan-2-ylphenoxy)ethyl]-3-pyrrolidin-1-ylpyridine-4-carboxamide?
The IUPAC name of N-[2-(4-propan-2-ylphenoxy)ethyl]-3-pyrrolidin-1-ylpyridine-4-carboxamide (CID 167775993) is N-[2-(4-propan-2-ylphenoxy)ethyl]-3-pyrrolidin-1-ylpyridine-4-carboxamide.
What is the SMILES notation for N-[2-(4-propan-2-ylphenoxy)ethyl]-3-pyrrolidin-1-ylpyridine-4-carboxamide?
The canonical SMILES for N-[2-(4-propan-2-ylphenoxy)ethyl]-3-pyrrolidin-1-ylpyridine-4-carboxamide is CC(C)c1ccc(OCCNC(=O)c2ccncc2N2CCCC2)cc1.
What is the InChIKey of N-[2-(4-propan-2-ylphenoxy)ethyl]-3-pyrrolidin-1-ylpyridine-4-carboxamide?
The InChIKey is MKMYFLKGWVMQEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O2/c1-16(2)17-5-7-18(8-6-17)26-14-11-23-21(25)19-9-10-22-15-20(19)24-12-3-4-13-24/h5-10,15-16H,3-4,11-14H2,1-2H3,(H,23,25).
What are the key properties of N-[2-(4-propan-2-ylphenoxy)ethyl]-3-pyrrolidin-1-ylpyridine-4-carboxamide?
N-[2-(4-propan-2-ylphenoxy)ethyl]-3-pyrrolidin-1-ylpyridine-4-carboxamide has a molecular weight of 353.47 g/mol, XLogP of 3.61, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-propan-2-ylphenoxy)ethyl]-3-pyrrolidin-1-ylpyridine-4-carboxamide is sourced from PubChem (CID 167775993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).