N-cyclopropyl-2-[2-(3,4-dichlorophenyl)morpholin-4-yl]pyridine-4-carboxamide

C19H19Cl2N3O2 — CID 56871619

IUPACN-cyclopropyl-2-[2-(3,4-dichlorophenyl)morpholin-4-yl]pyridine-4-carboxamide
SMILESO=C(NC1CC1)c1ccnc(N2CCOC(c3ccc(Cl)c(Cl)c3)C2)c1
InChIInChI=1S/C19H19Cl2N3O2/c20-15-4-1-12(9-16(15)21)17-11-24(7-8-26-17)18-10-13(5-6-22-18)19(25)23-14-2-3-14/h1,4-6,9-10,14,17H,2-3,7-8,11H2,(H,23,25)
InChIKeyJNSQCOCZLPYYTM-UHFFFAOYSA-N
MW392.29 g/mol
LogP3.86
Rot. Bonds4

About N-cyclopropyl-2-[2-(3,4-dichlorophenyl)morpholin-4-yl]pyridine-4-carboxamide

N-cyclopropyl-2-[2-(3,4-dichlorophenyl)morpholin-4-yl]pyridine-4-carboxamide (PubChem CID 56871619) has the molecular formula C19H19Cl2N3O2 and a molecular weight of 392.29 g/mol. Its IUPAC name is N-cyclopropyl-2-[2-(3,4-dichlorophenyl)morpholin-4-yl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[2-(3,4-dichlorophenyl)morpholin-4-yl]pyridine-4-carboxamide
PubChem CID56871619
Molecular FormulaC19H19Cl2N3O2
Molecular Weight392.29 g/mol
Exact Mass391.09
IUPAC NameN-cyclopropyl-2-[2-(3,4-dichlorophenyl)morpholin-4-yl]pyridine-4-carboxamide
SMILESO=C(NC1CC1)c1ccnc(N2CCOC(c3ccc(Cl)c(Cl)c3)C2)c1
InChIInChI=1S/C19H19Cl2N3O2/c20-15-4-1-12(9-16(15)21)17-11-24(7-8-26-17)18-10-13(5-6-22-18)19(25)23-14-2-3-14/h1,4-6,9-10,14,17H,2-3,7-8,11H2,(H,23,25)
InChIKeyJNSQCOCZLPYYTM-UHFFFAOYSA-N
XLogP3.86
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.29
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[2-(3,4-dichlorophenyl)morpholin-4-yl]pyridine-4-carboxamide?
The IUPAC name of N-cyclopropyl-2-[2-(3,4-dichlorophenyl)morpholin-4-yl]pyridine-4-carboxamide (CID 56871619) is N-cyclopropyl-2-[2-(3,4-dichlorophenyl)morpholin-4-yl]pyridine-4-carboxamide.
What is the SMILES notation for N-cyclopropyl-2-[2-(3,4-dichlorophenyl)morpholin-4-yl]pyridine-4-carboxamide?
The canonical SMILES for N-cyclopropyl-2-[2-(3,4-dichlorophenyl)morpholin-4-yl]pyridine-4-carboxamide is O=C(NC1CC1)c1ccnc(N2CCOC(c3ccc(Cl)c(Cl)c3)C2)c1.
What is the InChIKey of N-cyclopropyl-2-[2-(3,4-dichlorophenyl)morpholin-4-yl]pyridine-4-carboxamide?
The InChIKey is JNSQCOCZLPYYTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19Cl2N3O2/c20-15-4-1-12(9-16(15)21)17-11-24(7-8-26-17)18-10-13(5-6-22-18)19(25)23-14-2-3-14/h1,4-6,9-10,14,17H,2-3,7-8,11H2,(H,23,25).
What are the key properties of N-cyclopropyl-2-[2-(3,4-dichlorophenyl)morpholin-4-yl]pyridine-4-carboxamide?
N-cyclopropyl-2-[2-(3,4-dichlorophenyl)morpholin-4-yl]pyridine-4-carboxamide has a molecular weight of 392.29 g/mol, XLogP of 3.86, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[2-(3,4-dichlorophenyl)morpholin-4-yl]pyridine-4-carboxamide is sourced from PubChem (CID 56871619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).