4-[[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]methylamino]pyridine-3-carboxamide

C20H24N4O3 — CID 133442800

IUPAC4-[[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]methylamino]pyridine-3-carboxamide
SMILESCC1CN(C(=O)c2ccc(CNc3ccncc3C(N)=O)cc2)CC(C)O1
InChIInChI=1S/C20H24N4O3/c1-13-11-24(12-14(2)27-13)20(26)16-5-3-15(4-6-16)9-23-18-7-8-22-10-17(18)19(21)25/h3-8,10,13-14H,9,11-12H2,1-2H3,(H2,21,25)(H,22,23)
InChIKeyYEJDODSAPDGPJZ-UHFFFAOYSA-N
MW368.44 g/mol
LogP2.04
Rot. Bonds5

About 4-[[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]methylamino]pyridine-3-carboxamide

4-[[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]methylamino]pyridine-3-carboxamide (PubChem CID 133442800) has the molecular formula C20H24N4O3 and a molecular weight of 368.44 g/mol. Its IUPAC name is 4-[[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]methylamino]pyridine-3-carboxamide.

Molecular Properties

Compound Name4-[[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]methylamino]pyridine-3-carboxamide
PubChem CID133442800
Molecular FormulaC20H24N4O3
Molecular Weight368.44 g/mol
Exact Mass368.18
IUPAC Name4-[[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]methylamino]pyridine-3-carboxamide
SMILESCC1CN(C(=O)c2ccc(CNc3ccncc3C(N)=O)cc2)CC(C)O1
InChIInChI=1S/C20H24N4O3/c1-13-11-24(12-14(2)27-13)20(26)16-5-3-15(4-6-16)9-23-18-7-8-22-10-17(18)19(21)25/h3-8,10,13-14H,9,11-12H2,1-2H3,(H2,21,25)(H,22,23)
InChIKeyYEJDODSAPDGPJZ-UHFFFAOYSA-N
XLogP2.04
TPSA97.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[(2R,6S)-2,6-dimethylmorpholin-4-yl]-[4-(propylamino)-3-pyridinyl]methanone
CID 104960482
[(2R,6R)-2,6-dimethylmorpholin-4-yl]-[4-[[(5-fluoro-2-pyridinyl)amino]methyl]phenyl]methanone
CID 124730185
4-[(4-tert-butylphenyl)methylamino]pyridine-3-carboxamide
CID 133469009
4-[[4-(2,6-dimethylmorpholine-4-carbonyl)anilino]methyl]benzoic acid
CID 122033835
(4-amino-3-pyridinyl)-(2,6-dimethylmorpholin-4-yl)methanone
CID 81236152
[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]-(2,6-dimethylmorpholin-4-yl)methanone
CID 618918
5-chloro-2-[[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]methylamino]benzonitrile
CID 133285979
[(2R,6S)-2,6-dimethylmorpholin-4-yl]-[3-(ethylamino)-4-pyridinyl]methanone
CID 105071465
(2,6-dimethylmorpholin-4-yl)-[4-[[(6-methylpyrimidin-4-yl)amino]methyl]phenyl]methanone
CID 133298921
(2S)-2-amino-N-[[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]methyl]-3,3-dimethylbutanamide;hydrochloride
CID 119752607
5-[[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]methylcarbamoyl]pyrazine-2-carboxylic acid
CID 120685308
(2,6-dimethylmorpholin-4-yl)-[6-(ethylamino)-3-pyridinyl]methanone
CID 62171862

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]methylamino]pyridine-3-carboxamide?
The IUPAC name of 4-[[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]methylamino]pyridine-3-carboxamide (CID 133442800) is 4-[[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]methylamino]pyridine-3-carboxamide.
What is the SMILES notation for 4-[[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]methylamino]pyridine-3-carboxamide?
The canonical SMILES for 4-[[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]methylamino]pyridine-3-carboxamide is CC1CN(C(=O)c2ccc(CNc3ccncc3C(N)=O)cc2)CC(C)O1.
What is the InChIKey of 4-[[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]methylamino]pyridine-3-carboxamide?
The InChIKey is YEJDODSAPDGPJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O3/c1-13-11-24(12-14(2)27-13)20(26)16-5-3-15(4-6-16)9-23-18-7-8-22-10-17(18)19(21)25/h3-8,10,13-14H,9,11-12H2,1-2H3,(H2,21,25)(H,22,23).
What are the key properties of 4-[[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]methylamino]pyridine-3-carboxamide?
4-[[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]methylamino]pyridine-3-carboxamide has a molecular weight of 368.44 g/mol, XLogP of 2.04, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]methylamino]pyridine-3-carboxamide is sourced from PubChem (CID 133442800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).