N-[(3S,4R)-3-[2-(dimethylamino)ethoxy]oxan-4-yl]-3-fluoropyridine-4-carboxamide

C15H22FN3O3 — CID 91761132

IUPACN-[(3S,4R)-3-[2-(dimethylamino)ethoxy]oxan-4-yl]-3-fluoropyridine-4-carboxamide
SMILESCN(C)CCO[C@@H]1COCC[C@H]1NC(=O)c1ccncc1F
InChIInChI=1S/C15H22FN3O3/c1-19(2)6-8-22-14-10-21-7-4-13(14)18-15(20)11-3-5-17-9-12(11)16/h3,5,9,13-14H,4,6-8,10H2,1-2H3,(H,18,20)/t13-,14-/m1/s1
InChIKeyUQEGTZFVQIFZIY-ZIAGYGMSSA-N
MW311.36 g/mol
LogP0.69
Rot. Bonds6

About N-[(3S,4R)-3-[2-(dimethylamino)ethoxy]oxan-4-yl]-3-fluoropyridine-4-carboxamide

N-[(3S,4R)-3-[2-(dimethylamino)ethoxy]oxan-4-yl]-3-fluoropyridine-4-carboxamide (PubChem CID 91761132) has the molecular formula C15H22FN3O3 and a molecular weight of 311.36 g/mol. Its IUPAC name is N-[(3S,4R)-3-[2-(dimethylamino)ethoxy]oxan-4-yl]-3-fluoropyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(3S,4R)-3-[2-(dimethylamino)ethoxy]oxan-4-yl]-3-fluoropyridine-4-carboxamide
PubChem CID91761132
Molecular FormulaC15H22FN3O3
Molecular Weight311.36 g/mol
Exact Mass311.16
IUPAC NameN-[(3S,4R)-3-[2-(dimethylamino)ethoxy]oxan-4-yl]-3-fluoropyridine-4-carboxamide
SMILESCN(C)CCO[C@@H]1COCC[C@H]1NC(=O)c1ccncc1F
InChIInChI=1S/C15H22FN3O3/c1-19(2)6-8-22-14-10-21-7-4-13(14)18-15(20)11-3-5-17-9-12(11)16/h3,5,9,13-14H,4,6-8,10H2,1-2H3,(H,18,20)/t13-,14-/m1/s1
InChIKeyUQEGTZFVQIFZIY-ZIAGYGMSSA-N
XLogP0.69
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.36
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3R,4S)-3-[2-(dimethylamino)ethoxy]oxan-4-yl]-6-methoxy-2,3-dihydro-1H-indene-5-carboxamide
CID 164629006
N-[(3S,4R)-3-[2-(dimethylamino)ethoxy]oxan-4-yl]-1-methyl-6-oxopyridazine-3-carboxamide
CID 91767405
5-chloro-N-[(3S,4R)-3-[2-(dimethylamino)ethoxy]oxan-4-yl]thiophene-2-carboxamide
CID 91788646
2-(3-chloro-2,6-difluorophenyl)-N-[(3S,4R)-3-[2-(dimethylamino)ethoxy]oxan-4-yl]acetamide
CID 91784481
N-[(3S,4R)-3-[2-(dimethylamino)ethoxy]oxan-4-yl]imidazo[1,2-a]pyridine-6-carboxamide
CID 91783077
N-[(3S,4R)-3-[2-(dimethylamino)ethoxy]oxan-4-yl]-5-(pyrazol-1-ylmethyl)furan-2-carboxamide
CID 91790068
N-[(3S,4R)-3-[2-(dimethylamino)ethoxy]oxan-4-yl]-5,6,7,8-tetrahydroquinoline-3-carboxamide
CID 91786606
N-[(3S,4R)-3-[2-(dimethylamino)ethoxy]oxan-4-yl]-2-(3-fluorophenoxy)acetamide
CID 91788685
3-chloro-N-[(3S,4R)-3-methoxyoxan-4-yl]pyridine-4-carboxamide
CID 91781029
N-[(3S,4R)-3-[2-(dimethylamino)ethoxy]oxan-4-yl]-2-(2H-indazol-3-yl)acetamide
CID 91790527
3-fluoro-N-(2-fluorooxan-3-yl)pyridine-4-carboxamide
CID 126857124
N-[(3S,4R)-3-[2-(dimethylamino)ethoxy]oxan-4-yl]-2-methyl-2-(4-methylphenoxy)propanamide
CID 91786617

Frequently Asked Questions

What is the IUPAC name of N-[(3S,4R)-3-[2-(dimethylamino)ethoxy]oxan-4-yl]-3-fluoropyridine-4-carboxamide?
The IUPAC name of N-[(3S,4R)-3-[2-(dimethylamino)ethoxy]oxan-4-yl]-3-fluoropyridine-4-carboxamide (CID 91761132) is N-[(3S,4R)-3-[2-(dimethylamino)ethoxy]oxan-4-yl]-3-fluoropyridine-4-carboxamide.
What is the SMILES notation for N-[(3S,4R)-3-[2-(dimethylamino)ethoxy]oxan-4-yl]-3-fluoropyridine-4-carboxamide?
The canonical SMILES for N-[(3S,4R)-3-[2-(dimethylamino)ethoxy]oxan-4-yl]-3-fluoropyridine-4-carboxamide is CN(C)CCO[C@@H]1COCC[C@H]1NC(=O)c1ccncc1F.
What is the InChIKey of N-[(3S,4R)-3-[2-(dimethylamino)ethoxy]oxan-4-yl]-3-fluoropyridine-4-carboxamide?
The InChIKey is UQEGTZFVQIFZIY-ZIAGYGMSSA-N. The full InChI is InChI=1S/C15H22FN3O3/c1-19(2)6-8-22-14-10-21-7-4-13(14)18-15(20)11-3-5-17-9-12(11)16/h3,5,9,13-14H,4,6-8,10H2,1-2H3,(H,18,20)/t13-,14-/m1/s1.
What are the key properties of N-[(3S,4R)-3-[2-(dimethylamino)ethoxy]oxan-4-yl]-3-fluoropyridine-4-carboxamide?
N-[(3S,4R)-3-[2-(dimethylamino)ethoxy]oxan-4-yl]-3-fluoropyridine-4-carboxamide has a molecular weight of 311.36 g/mol, XLogP of 0.69, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4R)-3-[2-(dimethylamino)ethoxy]oxan-4-yl]-3-fluoropyridine-4-carboxamide is sourced from PubChem (CID 91761132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).