N-benzyl-5-chloro-N-(1-morpholin-4-ylpropan-2-yl)-6-propan-2-yloxypyridine-3-carboxamide

C23H30ClN3O3 — CID 56501228

IUPACN-benzyl-5-chloro-N-(1-morpholin-4-ylpropan-2-yl)-6-propan-2-yloxypyridine-3-carboxamide
SMILESCC(C)Oc1ncc(C(=O)N(Cc2ccccc2)C(C)CN2CCOCC2)cc1Cl
InChIInChI=1S/C23H30ClN3O3/c1-17(2)30-22-21(24)13-20(14-25-22)23(28)27(16-19-7-5-4-6-8-19)18(3)15-26-9-11-29-12-10-26/h4-8,13-14,17-18H,9-12,15-16H2,1-3H3
InChIKeyMEDPJMUXGUFSFX-UHFFFAOYSA-N
MW431.96 g/mol
LogP3.89
Rot. Bonds8

About N-benzyl-5-chloro-N-(1-morpholin-4-ylpropan-2-yl)-6-propan-2-yloxypyridine-3-carboxamide

N-benzyl-5-chloro-N-(1-morpholin-4-ylpropan-2-yl)-6-propan-2-yloxypyridine-3-carboxamide (PubChem CID 56501228) has the molecular formula C23H30ClN3O3 and a molecular weight of 431.96 g/mol. Its IUPAC name is N-benzyl-5-chloro-N-(1-morpholin-4-ylpropan-2-yl)-6-propan-2-yloxypyridine-3-carboxamide.

Molecular Properties

Compound NameN-benzyl-5-chloro-N-(1-morpholin-4-ylpropan-2-yl)-6-propan-2-yloxypyridine-3-carboxamide
PubChem CID56501228
Molecular FormulaC23H30ClN3O3
Molecular Weight431.96 g/mol
Exact Mass431.20
IUPAC NameN-benzyl-5-chloro-N-(1-morpholin-4-ylpropan-2-yl)-6-propan-2-yloxypyridine-3-carboxamide
SMILESCC(C)Oc1ncc(C(=O)N(Cc2ccccc2)C(C)CN2CCOCC2)cc1Cl
InChIInChI=1S/C23H30ClN3O3/c1-17(2)30-22-21(24)13-20(14-25-22)23(28)27(16-19-7-5-4-6-8-19)18(3)15-26-9-11-29-12-10-26/h4-8,13-14,17-18H,9-12,15-16H2,1-3H3
InChIKeyMEDPJMUXGUFSFX-UHFFFAOYSA-N
XLogP3.89
TPSA54.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.96
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-benzyl-3-chloro-N-(1-morpholin-4-ylpropan-2-yl)benzamide
CID 56501396
N-benzyl-N-(1-morpholin-4-ylpropan-2-yl)-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 56500710
N-benzyl-1-(3-chlorophenyl)-N-(1-morpholin-4-ylpropan-2-yl)pyrazole-4-carboxamide
CID 56500434
N-benzyl-N-(1-morpholin-4-ylpropan-2-yl)-2-phenoxypropanamide
CID 56500998
N-benzyl-4-(methylsulfonylmethyl)-N-(1-morpholin-4-ylpropan-2-yl)benzamide
CID 56500850
N-benzyl-5-chloro-N-(1-morpholin-4-ylpropan-2-yl)-1H-indole-2-carboxamide
CID 56500994
N-benzyl-4-(methylsulfamoyl)-N-(1-morpholin-4-ylpropan-2-yl)benzamide
CID 56501661
N-benzyl-2-[(2-chlorophenyl)methoxy]-N-(1-morpholin-4-ylpropan-2-yl)acetamide
CID 56501629
N-benzyl-5-methyl-N-(1-morpholin-4-ylpropan-2-yl)-1-phenylpyrazole-3-carboxamide
CID 56500963
N-benzyl-2-bromo-5-methoxy-N-(1-morpholin-4-ylpropan-2-yl)benzamide
CID 56500983
N-benzyl-2-(4-ethoxyphenyl)-N-(1-morpholin-4-ylpropan-2-yl)acetamide
CID 56500857
5-chloro-N-(3-morpholin-4-yl-3-oxopropyl)-6-propan-2-yloxypyridine-3-carboxamide
CID 51120675

Frequently Asked Questions

What is the IUPAC name of N-benzyl-5-chloro-N-(1-morpholin-4-ylpropan-2-yl)-6-propan-2-yloxypyridine-3-carboxamide?
The IUPAC name of N-benzyl-5-chloro-N-(1-morpholin-4-ylpropan-2-yl)-6-propan-2-yloxypyridine-3-carboxamide (CID 56501228) is N-benzyl-5-chloro-N-(1-morpholin-4-ylpropan-2-yl)-6-propan-2-yloxypyridine-3-carboxamide.
What is the SMILES notation for N-benzyl-5-chloro-N-(1-morpholin-4-ylpropan-2-yl)-6-propan-2-yloxypyridine-3-carboxamide?
The canonical SMILES for N-benzyl-5-chloro-N-(1-morpholin-4-ylpropan-2-yl)-6-propan-2-yloxypyridine-3-carboxamide is CC(C)Oc1ncc(C(=O)N(Cc2ccccc2)C(C)CN2CCOCC2)cc1Cl.
What is the InChIKey of N-benzyl-5-chloro-N-(1-morpholin-4-ylpropan-2-yl)-6-propan-2-yloxypyridine-3-carboxamide?
The InChIKey is MEDPJMUXGUFSFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30ClN3O3/c1-17(2)30-22-21(24)13-20(14-25-22)23(28)27(16-19-7-5-4-6-8-19)18(3)15-26-9-11-29-12-10-26/h4-8,13-14,17-18H,9-12,15-16H2,1-3H3.
What are the key properties of N-benzyl-5-chloro-N-(1-morpholin-4-ylpropan-2-yl)-6-propan-2-yloxypyridine-3-carboxamide?
N-benzyl-5-chloro-N-(1-morpholin-4-ylpropan-2-yl)-6-propan-2-yloxypyridine-3-carboxamide has a molecular weight of 431.96 g/mol, XLogP of 3.89, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-5-chloro-N-(1-morpholin-4-ylpropan-2-yl)-6-propan-2-yloxypyridine-3-carboxamide is sourced from PubChem (CID 56501228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).