N-benzyl-4-(pyridine-3-carbonyl)-2-(pyridin-2-ylmethyl)morpholine-2-carboxamide

C24H24N4O3 — CID 110253807

IUPACN-benzyl-4-(pyridine-3-carbonyl)-2-(pyridin-2-ylmethyl)morpholine-2-carboxamide
SMILESO=C(c1cccnc1)N1CCOC(Cc2ccccn2)(C(=O)NCc2ccccc2)C1
InChIInChI=1S/C24H24N4O3/c29-22(20-9-6-11-25-17-20)28-13-14-31-24(18-28,15-21-10-4-5-12-26-21)23(30)27-16-19-7-2-1-3-8-19/h1-12,17H,13-16,18H2,(H,27,30)
InChIKeyOUPXBYKQOBKLFK-UHFFFAOYSA-N
MW416.48 g/mol
LogP2.25
Rot. Bonds6

About N-benzyl-4-(pyridine-3-carbonyl)-2-(pyridin-2-ylmethyl)morpholine-2-carboxamide

N-benzyl-4-(pyridine-3-carbonyl)-2-(pyridin-2-ylmethyl)morpholine-2-carboxamide (PubChem CID 110253807) has the molecular formula C24H24N4O3 and a molecular weight of 416.48 g/mol. Its IUPAC name is N-benzyl-4-(pyridine-3-carbonyl)-2-(pyridin-2-ylmethyl)morpholine-2-carboxamide.

Molecular Properties

Compound NameN-benzyl-4-(pyridine-3-carbonyl)-2-(pyridin-2-ylmethyl)morpholine-2-carboxamide
PubChem CID110253807
Molecular FormulaC24H24N4O3
Molecular Weight416.48 g/mol
Exact Mass416.18
IUPAC NameN-benzyl-4-(pyridine-3-carbonyl)-2-(pyridin-2-ylmethyl)morpholine-2-carboxamide
SMILESO=C(c1cccnc1)N1CCOC(Cc2ccccn2)(C(=O)NCc2ccccc2)C1
InChIInChI=1S/C24H24N4O3/c29-22(20-9-6-11-25-17-20)28-13-14-31-24(18-28,15-21-10-4-5-12-26-21)23(30)27-16-19-7-2-1-3-8-19/h1-12,17H,13-16,18H2,(H,27,30)
InChIKeyOUPXBYKQOBKLFK-UHFFFAOYSA-N
XLogP2.25
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.48
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-N-benzyl-4-(pyridine-4-carbonyl)-2-(pyridin-2-ylmethyl)morpholine-2-carboxamide
CID 92618504
(2R)-N-benzyl-4-(2-phenylacetyl)-2-(pyridin-2-ylmethyl)morpholine-2-carboxamide
CID 92618507
N-benzyl-4-(5-methyl-1H-pyrazole-4-carbonyl)-2-(pyridin-2-ylmethyl)morpholine-2-carboxamide
CID 110088626
(2R)-N-ethyl-4-(pyridine-3-carbonyl)-2-[(4-pyridin-3-ylphenyl)methyl]morpholine-2-carboxamide
CID 92592677
N-methyl-2-[[3-(4-methylphenyl)phenyl]methyl]-4-(pyridine-3-carbonyl)morpholine-2-carboxamide
CID 110233229
N-ethyl-4-(pyridine-3-carbonyl)-2-[(2-thiophen-3-ylphenyl)methyl]morpholine-2-carboxamide
CID 110232941
N-ethyl-4-(pyridine-2-carbonyl)-2-[(2-pyridin-3-ylphenyl)methyl]morpholine-2-carboxamide
CID 110232882
(2S)-N-methyl-4-(pyridine-2-carbonyl)-2-[(3-pyridin-3-ylphenyl)methyl]morpholine-2-carboxamide
CID 92610136
6-oxa-9-azaspiro[4.5]decan-9-yl(pyridin-3-yl)methanone
CID 97232335
(2R)-2-[[3-(3-fluorophenyl)phenyl]methyl]-4-(pyridine-3-carbonyl)morpholine-2-carboxamide
CID 92569626
(8-methyl-1,12-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl)-pyridin-3-ylmethanone
CID 172884571
pyridin-3-yl-[4-(pyridin-2-ylmethyl)piperazin-1-yl]methanone
CID 704367

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-(pyridine-3-carbonyl)-2-(pyridin-2-ylmethyl)morpholine-2-carboxamide?
The IUPAC name of N-benzyl-4-(pyridine-3-carbonyl)-2-(pyridin-2-ylmethyl)morpholine-2-carboxamide (CID 110253807) is N-benzyl-4-(pyridine-3-carbonyl)-2-(pyridin-2-ylmethyl)morpholine-2-carboxamide.
What is the SMILES notation for N-benzyl-4-(pyridine-3-carbonyl)-2-(pyridin-2-ylmethyl)morpholine-2-carboxamide?
The canonical SMILES for N-benzyl-4-(pyridine-3-carbonyl)-2-(pyridin-2-ylmethyl)morpholine-2-carboxamide is O=C(c1cccnc1)N1CCOC(Cc2ccccn2)(C(=O)NCc2ccccc2)C1.
What is the InChIKey of N-benzyl-4-(pyridine-3-carbonyl)-2-(pyridin-2-ylmethyl)morpholine-2-carboxamide?
The InChIKey is OUPXBYKQOBKLFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O3/c29-22(20-9-6-11-25-17-20)28-13-14-31-24(18-28,15-21-10-4-5-12-26-21)23(30)27-16-19-7-2-1-3-8-19/h1-12,17H,13-16,18H2,(H,27,30).
What are the key properties of N-benzyl-4-(pyridine-3-carbonyl)-2-(pyridin-2-ylmethyl)morpholine-2-carboxamide?
N-benzyl-4-(pyridine-3-carbonyl)-2-(pyridin-2-ylmethyl)morpholine-2-carboxamide has a molecular weight of 416.48 g/mol, XLogP of 2.25, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-(pyridine-3-carbonyl)-2-(pyridin-2-ylmethyl)morpholine-2-carboxamide is sourced from PubChem (CID 110253807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).