N-[4-chloro-3-(cyclohexylcarbamoyl)phenyl]-2-morpholin-4-ylpyridine-3-carboxamide

C23H27ClN4O3 — CID 55906780

IUPACN-[4-chloro-3-(cyclohexylcarbamoyl)phenyl]-2-morpholin-4-ylpyridine-3-carboxamide
SMILESO=C(NC1CCCCC1)c1cc(NC(=O)c2cccnc2N2CCOCC2)ccc1Cl
InChIInChI=1S/C23H27ClN4O3/c24-20-9-8-17(15-19(20)23(30)26-16-5-2-1-3-6-16)27-22(29)18-7-4-10-25-21(18)28-11-13-31-14-12-28/h4,7-10,15-16H,1-3,5-6,11-14H2,(H,26,30)(H,27,29)
InChIKeyIFHNAAVANACPQO-UHFFFAOYSA-N
MW442.95 g/mol
LogP3.89
Rot. Bonds5

About N-[4-chloro-3-(cyclohexylcarbamoyl)phenyl]-2-morpholin-4-ylpyridine-3-carboxamide

N-[4-chloro-3-(cyclohexylcarbamoyl)phenyl]-2-morpholin-4-ylpyridine-3-carboxamide (PubChem CID 55906780) has the molecular formula C23H27ClN4O3 and a molecular weight of 442.95 g/mol. Its IUPAC name is N-[4-chloro-3-(cyclohexylcarbamoyl)phenyl]-2-morpholin-4-ylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-chloro-3-(cyclohexylcarbamoyl)phenyl]-2-morpholin-4-ylpyridine-3-carboxamide
PubChem CID55906780
Molecular FormulaC23H27ClN4O3
Molecular Weight442.95 g/mol
Exact Mass442.18
IUPAC NameN-[4-chloro-3-(cyclohexylcarbamoyl)phenyl]-2-morpholin-4-ylpyridine-3-carboxamide
SMILESO=C(NC1CCCCC1)c1cc(NC(=O)c2cccnc2N2CCOCC2)ccc1Cl
InChIInChI=1S/C23H27ClN4O3/c24-20-9-8-17(15-19(20)23(30)26-16-5-2-1-3-6-16)27-22(29)18-7-4-10-25-21(18)28-11-13-31-14-12-28/h4,7-10,15-16H,1-3,5-6,11-14H2,(H,26,30)(H,27,29)
InChIKeyIFHNAAVANACPQO-UHFFFAOYSA-N
XLogP3.89
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.95
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-(cyclohexylcarbamoyl)phenyl]-2-morpholin-4-ylpyridine-3-carboxamide?
The IUPAC name of N-[4-chloro-3-(cyclohexylcarbamoyl)phenyl]-2-morpholin-4-ylpyridine-3-carboxamide (CID 55906780) is N-[4-chloro-3-(cyclohexylcarbamoyl)phenyl]-2-morpholin-4-ylpyridine-3-carboxamide.
What is the SMILES notation for N-[4-chloro-3-(cyclohexylcarbamoyl)phenyl]-2-morpholin-4-ylpyridine-3-carboxamide?
The canonical SMILES for N-[4-chloro-3-(cyclohexylcarbamoyl)phenyl]-2-morpholin-4-ylpyridine-3-carboxamide is O=C(NC1CCCCC1)c1cc(NC(=O)c2cccnc2N2CCOCC2)ccc1Cl.
What is the InChIKey of N-[4-chloro-3-(cyclohexylcarbamoyl)phenyl]-2-morpholin-4-ylpyridine-3-carboxamide?
The InChIKey is IFHNAAVANACPQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27ClN4O3/c24-20-9-8-17(15-19(20)23(30)26-16-5-2-1-3-6-16)27-22(29)18-7-4-10-25-21(18)28-11-13-31-14-12-28/h4,7-10,15-16H,1-3,5-6,11-14H2,(H,26,30)(H,27,29).
What are the key properties of N-[4-chloro-3-(cyclohexylcarbamoyl)phenyl]-2-morpholin-4-ylpyridine-3-carboxamide?
N-[4-chloro-3-(cyclohexylcarbamoyl)phenyl]-2-morpholin-4-ylpyridine-3-carboxamide has a molecular weight of 442.95 g/mol, XLogP of 3.89, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-3-(cyclohexylcarbamoyl)phenyl]-2-morpholin-4-ylpyridine-3-carboxamide is sourced from PubChem (CID 55906780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).