N-(6-carbamoyl-2-pyridinyl)-2-(3,4-dichlorophenyl)morpholine-4-carboxamide

C17H16Cl2N4O3 — CID 138995658

IUPACN-(6-carbamoyl-2-pyridinyl)-2-(3,4-dichlorophenyl)morpholine-4-carboxamide
SMILESNC(=O)c1cccc(NC(=O)N2CCOC(c3ccc(Cl)c(Cl)c3)C2)n1
InChIInChI=1S/C17H16Cl2N4O3/c18-11-5-4-10(8-12(11)19)14-9-23(6-7-26-14)17(25)22-15-3-1-2-13(21-15)16(20)24/h1-5,8,14H,6-7,9H2,(H2,20,24)(H,21,22,25)
InChIKeyRGAPLVOZPHVTKV-UHFFFAOYSA-N
MW395.25 g/mol
LogP3.09
Rot. Bonds3

About N-(6-carbamoyl-2-pyridinyl)-2-(3,4-dichlorophenyl)morpholine-4-carboxamide

N-(6-carbamoyl-2-pyridinyl)-2-(3,4-dichlorophenyl)morpholine-4-carboxamide (PubChem CID 138995658) has the molecular formula C17H16Cl2N4O3 and a molecular weight of 395.25 g/mol. Its IUPAC name is N-(6-carbamoyl-2-pyridinyl)-2-(3,4-dichlorophenyl)morpholine-4-carboxamide.

Molecular Properties

Compound NameN-(6-carbamoyl-2-pyridinyl)-2-(3,4-dichlorophenyl)morpholine-4-carboxamide
PubChem CID138995658
Molecular FormulaC17H16Cl2N4O3
Molecular Weight395.25 g/mol
Exact Mass394.06
IUPAC NameN-(6-carbamoyl-2-pyridinyl)-2-(3,4-dichlorophenyl)morpholine-4-carboxamide
SMILESNC(=O)c1cccc(NC(=O)N2CCOC(c3ccc(Cl)c(Cl)c3)C2)n1
InChIInChI=1S/C17H16Cl2N4O3/c18-11-5-4-10(8-12(11)19)14-9-23(6-7-26-14)17(25)22-15-3-1-2-13(21-15)16(20)24/h1-5,8,14H,6-7,9H2,(H2,20,24)(H,21,22,25)
InChIKeyRGAPLVOZPHVTKV-UHFFFAOYSA-N
XLogP3.09
TPSA97.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.25
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[(2R)-2-(3,4-dichlorophenyl)morpholin-4-yl]-pyridazin-3-ylmethanone
CID 95205403
[(2S)-2-(3,4-dichlorophenyl)morpholin-4-yl]-[6-(hydroxymethyl)-2-pyridinyl]methanone
CID 95561076
2-(3,4-dichlorophenyl)-N-propylmorpholine-4-carboxamide
CID 110364326
[2-(3,4-dichlorophenyl)morpholin-4-yl]-(furan-2-yl)methanone
CID 110364303
[(2S)-2-(3,4-dichlorophenyl)morpholin-4-yl]-(1H-pyrrol-2-yl)methanone
CID 95174642
4-[[2-(3,4-dichlorophenyl)morpholine-4-carbonyl]amino]butanoic acid
CID 122021290
(5-chloro-2-pyridinyl)-[(2S)-2-(3,4-dichlorophenyl)morpholin-4-yl]methanone
CID 95217596
[2-(3,4-dichlorophenyl)morpholin-4-yl]-[2-(methylamino)-1,3-thiazol-4-yl]methanone
CID 56878046
4-amino-1-[2-(3,4-dichlorophenyl)morpholin-4-yl]pentan-1-one
CID 120562102
1-[2-(3,4-dichlorophenyl)morpholin-4-yl]-3-pyrazol-1-ylpropan-1-one
CID 56743980
(3-amino-1H-pyrazol-5-yl)-[(2S)-2-(3,4-dichlorophenyl)morpholin-4-yl]methanone
CID 95556637
1-[2-(3,4-dichlorophenyl)morpholin-4-yl]-2-thiophen-2-ylethanone
CID 110364311

Frequently Asked Questions

What is the IUPAC name of N-(6-carbamoyl-2-pyridinyl)-2-(3,4-dichlorophenyl)morpholine-4-carboxamide?
The IUPAC name of N-(6-carbamoyl-2-pyridinyl)-2-(3,4-dichlorophenyl)morpholine-4-carboxamide (CID 138995658) is N-(6-carbamoyl-2-pyridinyl)-2-(3,4-dichlorophenyl)morpholine-4-carboxamide.
What is the SMILES notation for N-(6-carbamoyl-2-pyridinyl)-2-(3,4-dichlorophenyl)morpholine-4-carboxamide?
The canonical SMILES for N-(6-carbamoyl-2-pyridinyl)-2-(3,4-dichlorophenyl)morpholine-4-carboxamide is NC(=O)c1cccc(NC(=O)N2CCOC(c3ccc(Cl)c(Cl)c3)C2)n1.
What is the InChIKey of N-(6-carbamoyl-2-pyridinyl)-2-(3,4-dichlorophenyl)morpholine-4-carboxamide?
The InChIKey is RGAPLVOZPHVTKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16Cl2N4O3/c18-11-5-4-10(8-12(11)19)14-9-23(6-7-26-14)17(25)22-15-3-1-2-13(21-15)16(20)24/h1-5,8,14H,6-7,9H2,(H2,20,24)(H,21,22,25).
What are the key properties of N-(6-carbamoyl-2-pyridinyl)-2-(3,4-dichlorophenyl)morpholine-4-carboxamide?
N-(6-carbamoyl-2-pyridinyl)-2-(3,4-dichlorophenyl)morpholine-4-carboxamide has a molecular weight of 395.25 g/mol, XLogP of 3.09, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-carbamoyl-2-pyridinyl)-2-(3,4-dichlorophenyl)morpholine-4-carboxamide is sourced from PubChem (CID 138995658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).