N-(5-chloro-2-pyridinyl)-N-[[4-(2-hydroxyacetyl)phenyl]methyl]morpholine-4-carboxamide

C19H20ClN3O4 — CID 146940002

IUPACN-(5-chloro-2-pyridinyl)-N-[[4-(2-hydroxyacetyl)phenyl]methyl]morpholine-4-carboxamide
SMILESO=C(CO)c1ccc(CN(C(=O)N2CCOCC2)c2ccc(Cl)cn2)cc1
InChIInChI=1S/C19H20ClN3O4/c20-16-5-6-18(21-11-16)23(19(26)22-7-9-27-10-8-22)12-14-1-3-15(4-2-14)17(25)13-24/h1-6,11,24H,7-10,12-13H2
InChIKeyAGRMQEULOJGRQJ-UHFFFAOYSA-N
MW389.84 g/mol
LogP2.37
Rot. Bonds5

About N-(5-chloro-2-pyridinyl)-N-[[4-(2-hydroxyacetyl)phenyl]methyl]morpholine-4-carboxamide

N-(5-chloro-2-pyridinyl)-N-[[4-(2-hydroxyacetyl)phenyl]methyl]morpholine-4-carboxamide (PubChem CID 146940002) has the molecular formula C19H20ClN3O4 and a molecular weight of 389.84 g/mol. Its IUPAC name is N-(5-chloro-2-pyridinyl)-N-[[4-(2-hydroxyacetyl)phenyl]methyl]morpholine-4-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2-pyridinyl)-N-[[4-(2-hydroxyacetyl)phenyl]methyl]morpholine-4-carboxamide
PubChem CID146940002
Molecular FormulaC19H20ClN3O4
Molecular Weight389.84 g/mol
Exact Mass389.11
IUPAC NameN-(5-chloro-2-pyridinyl)-N-[[4-(2-hydroxyacetyl)phenyl]methyl]morpholine-4-carboxamide
SMILESO=C(CO)c1ccc(CN(C(=O)N2CCOCC2)c2ccc(Cl)cn2)cc1
InChIInChI=1S/C19H20ClN3O4/c20-16-5-6-18(21-11-16)23(19(26)22-7-9-27-10-8-22)12-14-1-3-15(4-2-14)17(25)13-24/h1-6,11,24H,7-10,12-13H2
InChIKeyAGRMQEULOJGRQJ-UHFFFAOYSA-N
XLogP2.37
TPSA82.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.84
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[4-(2-hydroxyacetyl)phenyl]methyl]-N-(4-quinolin-7-ylphenyl)morpholine-4-carboxamide
CID 148907845
N-[[4-(2-hydroxyacetyl)phenyl]methyl]-N-[3-(oxan-4-yl)phenyl]morpholine-4-carboxamide
CID 158831966
N-[[4-(2-hydroxyacetyl)phenyl]methyl]-N-[4-(3,4,5-trimethoxyphenyl)phenyl]morpholine-4-carboxamide
CID 149142775
N-(4-chlorophenyl)-N-[[5-(hydrazinecarbonyl)-2-pyridinyl]methyl]morpholine-4-carboxamide
CID 140894803
N-[[4-(2-hydroxyacetyl)phenyl]methyl]-2,6-dimethyl-N-pyridin-2-ylmorpholine-4-carboxamide
CID 147810593
N-[[4-(2-hydroxyacetyl)phenyl]methyl]-N-[3-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]morpholine-4-carboxamide
CID 147811359
4-benzyl-N-(3-chloro-4-fluorophenyl)-N-[[4-(2-hydroxyacetyl)phenyl]methyl]piperazine-1-carboxamide
CID 149266683
N-pyridin-3-yl-N-[[4-[2-[(2,2,2-trifluoroacetyl)amino]acetyl]phenyl]methyl]morpholine-4-carboxamide
CID 158772736
tert-butyl 4-[3-[[4-(2-hydroxyacetyl)phenyl]methyl-(morpholine-4-carbonyl)amino]phenyl]piperidine-1-carboxylate
CID 160874705
methyl 4-[[4-fluoro-3-methyl-N-(morpholine-4-carbonyl)anilino]methyl]benzoate
CID 163940319
N-(3-chloro-4-fluorophenyl)-N-[[4-(hydroxycarbamoyl)phenyl]methyl]morpholine-4-carboxamide;methyl 4-[[3-chloro-4-fluoro-N-(morpholine-4-carbonyl)anilino]methyl]benzoate
CID 175784597
4-(4-fluorophenyl)-N-[[4-(2-hydroxyacetyl)phenyl]methyl]-N-phenylpiperazine-1-carboxamide
CID 167638373

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-pyridinyl)-N-[[4-(2-hydroxyacetyl)phenyl]methyl]morpholine-4-carboxamide?
The IUPAC name of N-(5-chloro-2-pyridinyl)-N-[[4-(2-hydroxyacetyl)phenyl]methyl]morpholine-4-carboxamide (CID 146940002) is N-(5-chloro-2-pyridinyl)-N-[[4-(2-hydroxyacetyl)phenyl]methyl]morpholine-4-carboxamide.
What is the SMILES notation for N-(5-chloro-2-pyridinyl)-N-[[4-(2-hydroxyacetyl)phenyl]methyl]morpholine-4-carboxamide?
The canonical SMILES for N-(5-chloro-2-pyridinyl)-N-[[4-(2-hydroxyacetyl)phenyl]methyl]morpholine-4-carboxamide is O=C(CO)c1ccc(CN(C(=O)N2CCOCC2)c2ccc(Cl)cn2)cc1.
What is the InChIKey of N-(5-chloro-2-pyridinyl)-N-[[4-(2-hydroxyacetyl)phenyl]methyl]morpholine-4-carboxamide?
The InChIKey is AGRMQEULOJGRQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN3O4/c20-16-5-6-18(21-11-16)23(19(26)22-7-9-27-10-8-22)12-14-1-3-15(4-2-14)17(25)13-24/h1-6,11,24H,7-10,12-13H2.
What are the key properties of N-(5-chloro-2-pyridinyl)-N-[[4-(2-hydroxyacetyl)phenyl]methyl]morpholine-4-carboxamide?
N-(5-chloro-2-pyridinyl)-N-[[4-(2-hydroxyacetyl)phenyl]methyl]morpholine-4-carboxamide has a molecular weight of 389.84 g/mol, XLogP of 2.37, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-pyridinyl)-N-[[4-(2-hydroxyacetyl)phenyl]methyl]morpholine-4-carboxamide is sourced from PubChem (CID 146940002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).