4-methyl-6-[3-[4-(morpholin-4-ylmethyl)phenyl]-1,2,4-oxadiazol-5-yl]pyridine-3-carboxamide

C20H21N5O3 — CID 146130567

IUPAC4-methyl-6-[3-[4-(morpholin-4-ylmethyl)phenyl]-1,2,4-oxadiazol-5-yl]pyridine-3-carboxamide
SMILESCc1cc(-c2nc(-c3ccc(CN4CCOCC4)cc3)no2)ncc1C(N)=O
InChIInChI=1S/C20H21N5O3/c1-13-10-17(22-11-16(13)18(21)26)20-23-19(24-28-20)15-4-2-14(3-5-15)12-25-6-8-27-9-7-25/h2-5,10-11H,6-9,12H2,1H3,(H2,21,26)
InChIKeyBUIDJEITGZVTCM-UHFFFAOYSA-N
MW379.42 g/mol
LogP2.04
Rot. Bonds5

About 4-methyl-6-[3-[4-(morpholin-4-ylmethyl)phenyl]-1,2,4-oxadiazol-5-yl]pyridine-3-carboxamide

4-methyl-6-[3-[4-(morpholin-4-ylmethyl)phenyl]-1,2,4-oxadiazol-5-yl]pyridine-3-carboxamide (PubChem CID 146130567) has the molecular formula C20H21N5O3 and a molecular weight of 379.42 g/mol. Its IUPAC name is 4-methyl-6-[3-[4-(morpholin-4-ylmethyl)phenyl]-1,2,4-oxadiazol-5-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name4-methyl-6-[3-[4-(morpholin-4-ylmethyl)phenyl]-1,2,4-oxadiazol-5-yl]pyridine-3-carboxamide
PubChem CID146130567
Molecular FormulaC20H21N5O3
Molecular Weight379.42 g/mol
Exact Mass379.16
IUPAC Name4-methyl-6-[3-[4-(morpholin-4-ylmethyl)phenyl]-1,2,4-oxadiazol-5-yl]pyridine-3-carboxamide
SMILESCc1cc(-c2nc(-c3ccc(CN4CCOCC4)cc3)no2)ncc1C(N)=O
InChIInChI=1S/C20H21N5O3/c1-13-10-17(22-11-16(13)18(21)26)20-23-19(24-28-20)15-4-2-14(3-5-15)12-25-6-8-27-9-7-25/h2-5,10-11H,6-9,12H2,1H3,(H2,21,26)
InChIKeyBUIDJEITGZVTCM-UHFFFAOYSA-N
XLogP2.04
TPSA107.37 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.42
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-methyl-6-[3-[4-(morpholin-4-ylmethyl)phenyl]-1,2,4-oxadiazol-5-yl]pyridine-3-carboxamide with MolForge

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Related Compounds

4-[[4-[5-[5-methyl-1-[(4-methylphenyl)methyl]pyrazol-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]morpholine
CID 59504760
4-methyl-3-[3-[4-(morpholin-4-ylmethyl)phenyl]-1,2,4-oxadiazol-5-yl]aniline;hydrochloride
CID 120840629
[4-[3-[4-(morpholin-4-ylmethyl)phenyl]-1,2,4-oxadiazol-5-yl]furan-2-yl]methanamine
CID 120840636
1-[[2-methyl-4-(morpholin-4-ylmethyl)phenyl]methyl]pyrazole-4-carboxamide
CID 174752138
3-[4-(morpholin-4-ylmethyl)phenyl]-1,2-oxazole-5-carboxylic acid
CID 117465659
(4-methylphenyl)-[3-[4-(morpholin-4-ylmethyl)phenyl]-1,2,4-oxadiazol-5-yl]methanamine
CID 120840640
(2,4-dimethylphenyl)-[4-(morpholin-4-ylmethyl)phenyl]methanone
CID 24724237
5-methyl-3-[4-[4-(pyrrolidin-1-ylmethyl)phenyl]phenyl]-1,2,4-oxadiazole
CID 11681282
6-[4-[(4-chlorophenyl)methyl]piperazine-1-carbonyl]-4-methylpyridine-3-carboxamide
CID 136545594
4-[[(2S)-2-aminopropyl]amino]-6-[4-(morpholin-4-ylmethyl)phenyl]pyrido[3,2-d]pyrimidine-8-carboxamide
CID 169243301
3,4-dimethyl-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]benzamide
CID 17397484
N-(3-amino-4-methylphenyl)-4-(morpholin-4-ylmethyl)benzamide
CID 141217445

Frequently Asked Questions

What is the IUPAC name of 4-methyl-6-[3-[4-(morpholin-4-ylmethyl)phenyl]-1,2,4-oxadiazol-5-yl]pyridine-3-carboxamide?
The IUPAC name of 4-methyl-6-[3-[4-(morpholin-4-ylmethyl)phenyl]-1,2,4-oxadiazol-5-yl]pyridine-3-carboxamide (CID 146130567) is 4-methyl-6-[3-[4-(morpholin-4-ylmethyl)phenyl]-1,2,4-oxadiazol-5-yl]pyridine-3-carboxamide.
What is the SMILES notation for 4-methyl-6-[3-[4-(morpholin-4-ylmethyl)phenyl]-1,2,4-oxadiazol-5-yl]pyridine-3-carboxamide?
The canonical SMILES for 4-methyl-6-[3-[4-(morpholin-4-ylmethyl)phenyl]-1,2,4-oxadiazol-5-yl]pyridine-3-carboxamide is Cc1cc(-c2nc(-c3ccc(CN4CCOCC4)cc3)no2)ncc1C(N)=O.
What is the InChIKey of 4-methyl-6-[3-[4-(morpholin-4-ylmethyl)phenyl]-1,2,4-oxadiazol-5-yl]pyridine-3-carboxamide?
The InChIKey is BUIDJEITGZVTCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O3/c1-13-10-17(22-11-16(13)18(21)26)20-23-19(24-28-20)15-4-2-14(3-5-15)12-25-6-8-27-9-7-25/h2-5,10-11H,6-9,12H2,1H3,(H2,21,26).
What are the key properties of 4-methyl-6-[3-[4-(morpholin-4-ylmethyl)phenyl]-1,2,4-oxadiazol-5-yl]pyridine-3-carboxamide?
4-methyl-6-[3-[4-(morpholin-4-ylmethyl)phenyl]-1,2,4-oxadiazol-5-yl]pyridine-3-carboxamide has a molecular weight of 379.42 g/mol, XLogP of 2.04, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-6-[3-[4-(morpholin-4-ylmethyl)phenyl]-1,2,4-oxadiazol-5-yl]pyridine-3-carboxamide is sourced from PubChem (CID 146130567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).