N-[3-(morpholine-4-carbonyl)phenyl]-6-[(1R)-1-phenylethoxy]pyridine-3-carboxamide

C25H25N3O4 — CID 95146314

IUPACN-[3-(morpholine-4-carbonyl)phenyl]-6-[(1R)-1-phenylethoxy]pyridine-3-carboxamide
SMILESC[C@@H](Oc1ccc(C(=O)Nc2cccc(C(=O)N3CCOCC3)c2)cn1)c1ccccc1
InChIInChI=1S/C25H25N3O4/c1-18(19-6-3-2-4-7-19)32-23-11-10-21(17-26-23)24(29)27-22-9-5-8-20(16-22)25(30)28-12-14-31-15-13-28/h2-11,16-18H,12-15H2,1H3,(H,27,29)/t18-/m1/s1
InChIKeyCTWREMKSRJLTMU-GOSISDBHSA-N
MW431.49 g/mol
LogP3.95
Rot. Bonds6

About N-[3-(morpholine-4-carbonyl)phenyl]-6-[(1R)-1-phenylethoxy]pyridine-3-carboxamide

N-[3-(morpholine-4-carbonyl)phenyl]-6-[(1R)-1-phenylethoxy]pyridine-3-carboxamide (PubChem CID 95146314) has the molecular formula C25H25N3O4 and a molecular weight of 431.49 g/mol. Its IUPAC name is N-[3-(morpholine-4-carbonyl)phenyl]-6-[(1R)-1-phenylethoxy]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3-(morpholine-4-carbonyl)phenyl]-6-[(1R)-1-phenylethoxy]pyridine-3-carboxamide
PubChem CID95146314
Molecular FormulaC25H25N3O4
Molecular Weight431.49 g/mol
Exact Mass431.18
IUPAC NameN-[3-(morpholine-4-carbonyl)phenyl]-6-[(1R)-1-phenylethoxy]pyridine-3-carboxamide
SMILESC[C@@H](Oc1ccc(C(=O)Nc2cccc(C(=O)N3CCOCC3)c2)cn1)c1ccccc1
InChIInChI=1S/C25H25N3O4/c1-18(19-6-3-2-4-7-19)32-23-11-10-21(17-26-23)24(29)27-22-9-5-8-20(16-22)25(30)28-12-14-31-15-13-28/h2-11,16-18H,12-15H2,1H3,(H,27,29)/t18-/m1/s1
InChIKeyCTWREMKSRJLTMU-GOSISDBHSA-N
XLogP3.95
TPSA80.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.49
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(2-oxoimidazolidin-1-yl)phenyl]-6-(1-phenylethoxy)pyridine-3-carboxamide
CID 47047407
N-[3-(morpholine-4-carbonyl)phenyl]-4-phenylbenzamide
CID 17205412
4-ethoxy-N-[3-(morpholine-4-carbonyl)phenyl]benzamide
CID 17205497
N-(3-acetylphenyl)-6-propan-2-yloxypyridine-3-carboxamide
CID 46460087
3-methoxy-4-methyl-N-[3-(morpholine-4-carbonyl)phenyl]benzamide
CID 55748732
2-methyl-N-[3-(morpholine-4-carbonyl)phenyl]propanamide
CID 4094749
N-[3-(morpholine-4-carbonyl)phenyl]-3-propoxybenzamide
CID 17205539
N-[3-(morpholine-4-carbonyl)phenyl]quinoline-7-carboxamide
CID 155312844
N-[3-(phenylcarbamoylamino)phenyl]-6-propan-2-yloxypyridine-3-carboxamide
CID 55688052
3-ethoxy-N-[3-(morpholine-4-carbonyl)phenyl]benzamide
CID 17205535
3-bromo-4-(2-methylpropoxy)-N-[3-(morpholine-4-carbonyl)phenyl]benzamide
CID 17205552
N-(3-acetylphenyl)-4-(morpholine-4-carbonyl)pyridine-2-carboxamide
CID 109082912

Frequently Asked Questions

What is the IUPAC name of N-[3-(morpholine-4-carbonyl)phenyl]-6-[(1R)-1-phenylethoxy]pyridine-3-carboxamide?
The IUPAC name of N-[3-(morpholine-4-carbonyl)phenyl]-6-[(1R)-1-phenylethoxy]pyridine-3-carboxamide (CID 95146314) is N-[3-(morpholine-4-carbonyl)phenyl]-6-[(1R)-1-phenylethoxy]pyridine-3-carboxamide.
What is the SMILES notation for N-[3-(morpholine-4-carbonyl)phenyl]-6-[(1R)-1-phenylethoxy]pyridine-3-carboxamide?
The canonical SMILES for N-[3-(morpholine-4-carbonyl)phenyl]-6-[(1R)-1-phenylethoxy]pyridine-3-carboxamide is C[C@@H](Oc1ccc(C(=O)Nc2cccc(C(=O)N3CCOCC3)c2)cn1)c1ccccc1.
What is the InChIKey of N-[3-(morpholine-4-carbonyl)phenyl]-6-[(1R)-1-phenylethoxy]pyridine-3-carboxamide?
The InChIKey is CTWREMKSRJLTMU-GOSISDBHSA-N. The full InChI is InChI=1S/C25H25N3O4/c1-18(19-6-3-2-4-7-19)32-23-11-10-21(17-26-23)24(29)27-22-9-5-8-20(16-22)25(30)28-12-14-31-15-13-28/h2-11,16-18H,12-15H2,1H3,(H,27,29)/t18-/m1/s1.
What are the key properties of N-[3-(morpholine-4-carbonyl)phenyl]-6-[(1R)-1-phenylethoxy]pyridine-3-carboxamide?
N-[3-(morpholine-4-carbonyl)phenyl]-6-[(1R)-1-phenylethoxy]pyridine-3-carboxamide has a molecular weight of 431.49 g/mol, XLogP of 3.95, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(morpholine-4-carbonyl)phenyl]-6-[(1R)-1-phenylethoxy]pyridine-3-carboxamide is sourced from PubChem (CID 95146314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).