2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[2-[methyl(2-pyridin-2-ylethyl)amino]-3-pyridinyl]methyl]acetamide

C21H25N5O2 — CID 56714693

IUPAC2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[2-[methyl(2-pyridin-2-ylethyl)amino]-3-pyridinyl]methyl]acetamide
SMILESCc1noc(C)c1CC(=O)NCc1cccnc1N(C)CCc1ccccn1
InChIInChI=1S/C21H25N5O2/c1-15-19(16(2)28-25-15)13-20(27)24-14-17-7-6-11-23-21(17)26(3)12-9-18-8-4-5-10-22-18/h4-8,10-11H,9,12-14H2,1-3H3,(H,24,27)
InChIKeyBQMKKUPUOAUPGP-UHFFFAOYSA-N
MW379.46 g/mol
LogP2.62
Rot. Bonds8

About 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[2-[methyl(2-pyridin-2-ylethyl)amino]-3-pyridinyl]methyl]acetamide

2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[2-[methyl(2-pyridin-2-ylethyl)amino]-3-pyridinyl]methyl]acetamide (PubChem CID 56714693) has the molecular formula C21H25N5O2 and a molecular weight of 379.46 g/mol. Its IUPAC name is 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[2-[methyl(2-pyridin-2-ylethyl)amino]-3-pyridinyl]methyl]acetamide.

Molecular Properties

Compound Name2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[2-[methyl(2-pyridin-2-ylethyl)amino]-3-pyridinyl]methyl]acetamide
PubChem CID56714693
Molecular FormulaC21H25N5O2
Molecular Weight379.46 g/mol
Exact Mass379.20
IUPAC Name2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[2-[methyl(2-pyridin-2-ylethyl)amino]-3-pyridinyl]methyl]acetamide
SMILESCc1noc(C)c1CC(=O)NCc1cccnc1N(C)CCc1ccccn1
InChIInChI=1S/C21H25N5O2/c1-15-19(16(2)28-25-15)13-20(27)24-14-17-7-6-11-23-21(17)26(3)12-9-18-8-4-5-10-22-18/h4-8,10-11H,9,12-14H2,1-3H3,(H,24,27)
InChIKeyBQMKKUPUOAUPGP-UHFFFAOYSA-N
XLogP2.62
TPSA84.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[2-[methyl(2-pyridin-2-ylethyl)amino]-3-pyridinyl]methyl]acetamide with MolForge

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Related Compounds

4-methyl-N-[[2-[methyl(2-pyridin-2-ylethyl)amino]-3-pyridinyl]methyl]thiadiazole-5-carboxamide
CID 26399916
5-chloro-N-[[2-[methyl(2-pyridin-2-ylethyl)amino]-3-pyridinyl]methyl]thiophene-2-carboxamide
CID 26390821
N-[[2-[methyl(2-pyridin-2-ylethyl)amino]-3-pyridinyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 56718337
N-benzyl-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide
CID 18194355
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]acetamide
CID 75462338
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(1H-pyrazol-5-ylmethyl)acetamide
CID 47205239
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]acetamide
CID 31787549
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[2-(3-hydroxypiperidin-1-yl)-3-pyridinyl]methyl]acetamide
CID 45232066
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[2-(hydroxymethyl)phenyl]methyl]propanamide
CID 110908981
(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[methyl(2-pyridin-2-ylethyl)amino]acetic acid
CID 97194513
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(2,3,4-trifluorophenyl)methyl]acetamide
CID 23654562
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-1-pyridin-2-ylmethanamine
CID 171328140

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[2-[methyl(2-pyridin-2-ylethyl)amino]-3-pyridinyl]methyl]acetamide?
The IUPAC name of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[2-[methyl(2-pyridin-2-ylethyl)amino]-3-pyridinyl]methyl]acetamide (CID 56714693) is 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[2-[methyl(2-pyridin-2-ylethyl)amino]-3-pyridinyl]methyl]acetamide.
What is the SMILES notation for 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[2-[methyl(2-pyridin-2-ylethyl)amino]-3-pyridinyl]methyl]acetamide?
The canonical SMILES for 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[2-[methyl(2-pyridin-2-ylethyl)amino]-3-pyridinyl]methyl]acetamide is Cc1noc(C)c1CC(=O)NCc1cccnc1N(C)CCc1ccccn1.
What is the InChIKey of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[2-[methyl(2-pyridin-2-ylethyl)amino]-3-pyridinyl]methyl]acetamide?
The InChIKey is BQMKKUPUOAUPGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O2/c1-15-19(16(2)28-25-15)13-20(27)24-14-17-7-6-11-23-21(17)26(3)12-9-18-8-4-5-10-22-18/h4-8,10-11H,9,12-14H2,1-3H3,(H,24,27).
What are the key properties of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[2-[methyl(2-pyridin-2-ylethyl)amino]-3-pyridinyl]methyl]acetamide?
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[2-[methyl(2-pyridin-2-ylethyl)amino]-3-pyridinyl]methyl]acetamide has a molecular weight of 379.46 g/mol, XLogP of 2.62, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[2-[methyl(2-pyridin-2-ylethyl)amino]-3-pyridinyl]methyl]acetamide is sourced from PubChem (CID 56714693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).