N-[(4S)-2,2-dimethyloxan-4-yl]-N-ethyl-2-propylpyridine-4-carboxamide

C18H28N2O2 — CID 95128544

IUPACN-[(4S)-2,2-dimethyloxan-4-yl]-N-ethyl-2-propylpyridine-4-carboxamide
SMILESCCCc1cc(C(=O)N(CC)[C@H]2CCOC(C)(C)C2)ccn1
InChIInChI=1S/C18H28N2O2/c1-5-7-15-12-14(8-10-19-15)17(21)20(6-2)16-9-11-22-18(3,4)13-16/h8,10,12,16H,5-7,9,11,13H2,1-4H3/t16-/m0/s1
InChIKeyGRYPVDQBIVBGJR-INIZCTEOSA-N
MW304.43 g/mol
LogP3.45
Rot. Bonds5

About N-[(4S)-2,2-dimethyloxan-4-yl]-N-ethyl-2-propylpyridine-4-carboxamide

N-[(4S)-2,2-dimethyloxan-4-yl]-N-ethyl-2-propylpyridine-4-carboxamide (PubChem CID 95128544) has the molecular formula C18H28N2O2 and a molecular weight of 304.43 g/mol. Its IUPAC name is N-[(4S)-2,2-dimethyloxan-4-yl]-N-ethyl-2-propylpyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(4S)-2,2-dimethyloxan-4-yl]-N-ethyl-2-propylpyridine-4-carboxamide
PubChem CID95128544
Molecular FormulaC18H28N2O2
Molecular Weight304.43 g/mol
Exact Mass304.22
IUPAC NameN-[(4S)-2,2-dimethyloxan-4-yl]-N-ethyl-2-propylpyridine-4-carboxamide
SMILESCCCc1cc(C(=O)N(CC)[C@H]2CCOC(C)(C)C2)ccn1
InChIInChI=1S/C18H28N2O2/c1-5-7-15-12-14(8-10-19-15)17(21)20(6-2)16-9-11-22-18(3,4)13-16/h8,10,12,16H,5-7,9,11,13H2,1-4H3/t16-/m0/s1
InChIKeyGRYPVDQBIVBGJR-INIZCTEOSA-N
XLogP3.45
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.43
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,2-dimethyloxan-4-yl)-N-ethyl-1H-indole-5-carboxamide
CID 126810790
2-anilino-N-[(4S)-2,2-dimethyloxan-4-yl]-N-ethylpyrimidine-5-carboxamide
CID 97149283
N-(2,2-dimethyloxan-4-yl)-N-ethyl-4-(propylsulfamoyl)benzamide
CID 135119424
N-[(4S)-2,2-dimethyloxan-4-yl]-4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-ethylbenzamide
CID 95895911
N-(2,2-dimethyloxan-4-yl)-N-ethyl-2-oxo-1H-pyrido[2,3-b][1,4]oxazine-7-carboxamide
CID 154759117
3-cyclopropyl-N-(2,2-dimethyloxan-4-yl)-N-ethyl-2-oxo-1H-benzimidazole-5-carboxamide
CID 154742386
N-(2,2-dimethyloxan-4-yl)-N-ethyl-5-(5-methylthiophen-2-yl)-1H-pyrazole-3-carboxamide
CID 70725369
N-[(4S)-2,2-dimethyloxan-4-yl]-N-ethyl-3-(4-hydroxyphenyl)-1H-pyrazole-5-carboxamide
CID 136696811
2-(aminomethyl)-N-cyclopropyl-N-propylpyridine-4-carboxamide
CID 113277725
N-[(4S)-2,2-dimethyloxan-4-yl]-N-ethyl-2-(4-methylphenyl)-6-oxo-1H-pyrimidine-5-carboxamide
CID 97147169
N-[(4R)-2,2-dimethyloxan-4-yl]-N-ethyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-2-carboxamide
CID 95728897
3-(4-chlorophenyl)-1-[(4S)-2,2-dimethyloxan-4-yl]-1-ethylurea
CID 97444759

Frequently Asked Questions

What is the IUPAC name of N-[(4S)-2,2-dimethyloxan-4-yl]-N-ethyl-2-propylpyridine-4-carboxamide?
The IUPAC name of N-[(4S)-2,2-dimethyloxan-4-yl]-N-ethyl-2-propylpyridine-4-carboxamide (CID 95128544) is N-[(4S)-2,2-dimethyloxan-4-yl]-N-ethyl-2-propylpyridine-4-carboxamide.
What is the SMILES notation for N-[(4S)-2,2-dimethyloxan-4-yl]-N-ethyl-2-propylpyridine-4-carboxamide?
The canonical SMILES for N-[(4S)-2,2-dimethyloxan-4-yl]-N-ethyl-2-propylpyridine-4-carboxamide is CCCc1cc(C(=O)N(CC)[C@H]2CCOC(C)(C)C2)ccn1.
What is the InChIKey of N-[(4S)-2,2-dimethyloxan-4-yl]-N-ethyl-2-propylpyridine-4-carboxamide?
The InChIKey is GRYPVDQBIVBGJR-INIZCTEOSA-N. The full InChI is InChI=1S/C18H28N2O2/c1-5-7-15-12-14(8-10-19-15)17(21)20(6-2)16-9-11-22-18(3,4)13-16/h8,10,12,16H,5-7,9,11,13H2,1-4H3/t16-/m0/s1.
What are the key properties of N-[(4S)-2,2-dimethyloxan-4-yl]-N-ethyl-2-propylpyridine-4-carboxamide?
N-[(4S)-2,2-dimethyloxan-4-yl]-N-ethyl-2-propylpyridine-4-carboxamide has a molecular weight of 304.43 g/mol, XLogP of 3.45, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4S)-2,2-dimethyloxan-4-yl]-N-ethyl-2-propylpyridine-4-carboxamide is sourced from PubChem (CID 95128544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).