4-methoxy-N-[3-methyl-1-[(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)amino]-1-oxobutan-2-yl]benzamide

C21H28N4O3 — CID 86876682

IUPAC4-methoxy-N-[3-methyl-1-[(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)amino]-1-oxobutan-2-yl]benzamide
SMILESCOc1ccc(C(=O)NC(C(=O)NC2CCc3nc(C)cn3C2)C(C)C)cc1
InChIInChI=1S/C21H28N4O3/c1-13(2)19(24-20(26)15-5-8-17(28-4)9-6-15)21(27)23-16-7-10-18-22-14(3)11-25(18)12-16/h5-6,8-9,11,13,16,19H,7,10,12H2,1-4H3,(H,23,27)(H,24,26)
InChIKeyOROWVQNIVWGRKQ-UHFFFAOYSA-N
MW384.48 g/mol
LogP2.09
Rot. Bonds6

About 4-methoxy-N-[3-methyl-1-[(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)amino]-1-oxobutan-2-yl]benzamide

4-methoxy-N-[3-methyl-1-[(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)amino]-1-oxobutan-2-yl]benzamide (PubChem CID 86876682) has the molecular formula C21H28N4O3 and a molecular weight of 384.48 g/mol. Its IUPAC name is 4-methoxy-N-[3-methyl-1-[(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)amino]-1-oxobutan-2-yl]benzamide.

Molecular Properties

Compound Name4-methoxy-N-[3-methyl-1-[(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)amino]-1-oxobutan-2-yl]benzamide
PubChem CID86876682
Molecular FormulaC21H28N4O3
Molecular Weight384.48 g/mol
Exact Mass384.22
IUPAC Name4-methoxy-N-[3-methyl-1-[(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)amino]-1-oxobutan-2-yl]benzamide
SMILESCOc1ccc(C(=O)NC(C(=O)NC2CCc3nc(C)cn3C2)C(C)C)cc1
InChIInChI=1S/C21H28N4O3/c1-13(2)19(24-20(26)15-5-8-17(28-4)9-6-15)21(27)23-16-7-10-18-22-14(3)11-25(18)12-16/h5-6,8-9,11,13,16,19H,7,10,12H2,1-4H3,(H,23,27)(H,24,26)
InChIKeyOROWVQNIVWGRKQ-UHFFFAOYSA-N
XLogP2.09
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-methoxy-N-[3-methyl-1-[(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)amino]-1-oxobutan-2-yl]benzamide with MolForge

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Related Compounds

(2R)-N-[(6R)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]-2-thiophen-2-ylpropanamide
CID 95773674
(2R)-N-[(6S)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]-2-thiophen-3-ylpropanamide
CID 95773681
(2R)-N-[(6R)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]-2-thiophen-3-ylpropanamide
CID 95773682
(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(6S)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]propanamide
CID 95765985
N-[1-[4-(cyclopropylcarbamoylamino)anilino]-3-methyl-1-oxobutan-2-yl]-4-methoxybenzamide
CID 55531749
1-methyl-N-[(6R)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]-6-oxopyridazine-3-carboxamide
CID 95136775
4-methoxy-N-[3-methyl-1-oxo-1-[(2-oxopiperidin-1-yl)amino]butan-2-yl]benzamide
CID 47092664
(2S)-N-[(6S)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]-2-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 95765955
(2R)-2-methoxy-N-[(6S)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]-2-phenylpropanamide
CID 95760029
4-methoxy-N-[3-methyl-1-[(2-methylpiperidin-3-yl)amino]-1-oxobutan-2-yl]benzamide
CID 120577935
N-[(2R)-1-[[1-(3-hydroxybenzoyl)piperidin-4-yl]amino]-3-methyl-1-oxobutan-2-yl]-4-methoxybenzamide
CID 51954783
4-fluoro-N-[3-methyl-1-[(1-methyl-6-oxopiperidin-3-yl)amino]-1-oxobutan-2-yl]benzamide
CID 56793894

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[3-methyl-1-[(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)amino]-1-oxobutan-2-yl]benzamide?
The IUPAC name of 4-methoxy-N-[3-methyl-1-[(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)amino]-1-oxobutan-2-yl]benzamide (CID 86876682) is 4-methoxy-N-[3-methyl-1-[(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)amino]-1-oxobutan-2-yl]benzamide.
What is the SMILES notation for 4-methoxy-N-[3-methyl-1-[(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)amino]-1-oxobutan-2-yl]benzamide?
The canonical SMILES for 4-methoxy-N-[3-methyl-1-[(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)amino]-1-oxobutan-2-yl]benzamide is COc1ccc(C(=O)NC(C(=O)NC2CCc3nc(C)cn3C2)C(C)C)cc1.
What is the InChIKey of 4-methoxy-N-[3-methyl-1-[(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)amino]-1-oxobutan-2-yl]benzamide?
The InChIKey is OROWVQNIVWGRKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O3/c1-13(2)19(24-20(26)15-5-8-17(28-4)9-6-15)21(27)23-16-7-10-18-22-14(3)11-25(18)12-16/h5-6,8-9,11,13,16,19H,7,10,12H2,1-4H3,(H,23,27)(H,24,26).
What are the key properties of 4-methoxy-N-[3-methyl-1-[(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)amino]-1-oxobutan-2-yl]benzamide?
4-methoxy-N-[3-methyl-1-[(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)amino]-1-oxobutan-2-yl]benzamide has a molecular weight of 384.48 g/mol, XLogP of 2.09, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[3-methyl-1-[(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)amino]-1-oxobutan-2-yl]benzamide is sourced from PubChem (CID 86876682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).