4-(2-methylpropoxy)-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]benzamide

C21H27N3O3 — CID 16602299

IUPAC4-(2-methylpropoxy)-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]benzamide
SMILESCC(C)COc1ccc(C(=O)NCc2ccc(N3CCOCC3)nc2)cc1
InChIInChI=1S/C21H27N3O3/c1-16(2)15-27-19-6-4-18(5-7-19)21(25)23-14-17-3-8-20(22-13-17)24-9-11-26-12-10-24/h3-8,13,16H,9-12,14-15H2,1-2H3,(H,23,25)
InChIKeyLLROLARSFKQFOI-UHFFFAOYSA-N
MW369.47 g/mol
LogP2.88
Rot. Bonds7

About 4-(2-methylpropoxy)-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]benzamide

4-(2-methylpropoxy)-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]benzamide (PubChem CID 16602299) has the molecular formula C21H27N3O3 and a molecular weight of 369.47 g/mol. Its IUPAC name is 4-(2-methylpropoxy)-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]benzamide.

Molecular Properties

Compound Name4-(2-methylpropoxy)-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]benzamide
PubChem CID16602299
Molecular FormulaC21H27N3O3
Molecular Weight369.47 g/mol
Exact Mass369.21
IUPAC Name4-(2-methylpropoxy)-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]benzamide
SMILESCC(C)COc1ccc(C(=O)NCc2ccc(N3CCOCC3)nc2)cc1
InChIInChI=1S/C21H27N3O3/c1-16(2)15-27-19-6-4-18(5-7-19)21(25)23-14-17-3-8-20(22-13-17)24-9-11-26-12-10-24/h3-8,13,16H,9-12,14-15H2,1-2H3,(H,23,25)
InChIKeyLLROLARSFKQFOI-UHFFFAOYSA-N
XLogP2.88
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]benzamide
CID 17424871
4-(methylsulfanylmethyl)-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]benzamide
CID 30354650
2-methoxy-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]propanamide
CID 47303387
N-[[4-(difluoromethyl)phenyl]methyl]-6-morpholin-4-ylpyridine-3-carboxamide
CID 166216056
1-[(2S)-1-methoxypropan-2-yl]-3-[(6-morpholin-4-yl-3-pyridinyl)methyl]urea
CID 34669155
4-fluoro-N-[2-[(6-morpholin-4-yl-3-pyridinyl)methylamino]-2-oxoethyl]benzamide
CID 17469565
2-methyl-3-[(6-morpholin-4-yl-3-pyridinyl)methylamino]-3-oxopropanoic acid
CID 114897147
4-prop-2-enoxy-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]benzamide
CID 37480846
N-[(6-morpholin-4-yl-3-pyridinyl)methyl]-2-phenoxypropanamide
CID 18145200
3-chloro-2-methyl-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]propanamide
CID 62727165
4-(oxolan-2-ylmethoxy)-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]benzamide
CID 55585097
4-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]benzamide
CID 18204721

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylpropoxy)-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]benzamide?
The IUPAC name of 4-(2-methylpropoxy)-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]benzamide (CID 16602299) is 4-(2-methylpropoxy)-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]benzamide.
What is the SMILES notation for 4-(2-methylpropoxy)-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]benzamide?
The canonical SMILES for 4-(2-methylpropoxy)-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]benzamide is CC(C)COc1ccc(C(=O)NCc2ccc(N3CCOCC3)nc2)cc1.
What is the InChIKey of 4-(2-methylpropoxy)-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]benzamide?
The InChIKey is LLROLARSFKQFOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O3/c1-16(2)15-27-19-6-4-18(5-7-19)21(25)23-14-17-3-8-20(22-13-17)24-9-11-26-12-10-24/h3-8,13,16H,9-12,14-15H2,1-2H3,(H,23,25).
What are the key properties of 4-(2-methylpropoxy)-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]benzamide?
4-(2-methylpropoxy)-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]benzamide has a molecular weight of 369.47 g/mol, XLogP of 2.88, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylpropoxy)-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]benzamide is sourced from PubChem (CID 16602299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).