N-[[4-(1,3-benzoxazol-2-yl)-2-methylmorpholin-2-yl]methyl]-2-methylpyridine-4-carboxamide

C20H22N4O3 — CID 138049229

IUPACN-[[4-(1,3-benzoxazol-2-yl)-2-methylmorpholin-2-yl]methyl]-2-methylpyridine-4-carboxamide
SMILESCc1cc(C(=O)NCC2(C)CN(c3nc4ccccc4o3)CCO2)ccn1
InChIInChI=1S/C20H22N4O3/c1-14-11-15(7-8-21-14)18(25)22-12-20(2)13-24(9-10-26-20)19-23-16-5-3-4-6-17(16)27-19/h3-8,11H,9-10,12-13H2,1-2H3,(H,22,25)
InChIKeyDIFNNIZRRCXRNM-UHFFFAOYSA-N
MW366.42 g/mol
LogP2.56
Rot. Bonds4

About N-[[4-(1,3-benzoxazol-2-yl)-2-methylmorpholin-2-yl]methyl]-2-methylpyridine-4-carboxamide

N-[[4-(1,3-benzoxazol-2-yl)-2-methylmorpholin-2-yl]methyl]-2-methylpyridine-4-carboxamide (PubChem CID 138049229) has the molecular formula C20H22N4O3 and a molecular weight of 366.42 g/mol. Its IUPAC name is N-[[4-(1,3-benzoxazol-2-yl)-2-methylmorpholin-2-yl]methyl]-2-methylpyridine-4-carboxamide.

Molecular Properties

Compound NameN-[[4-(1,3-benzoxazol-2-yl)-2-methylmorpholin-2-yl]methyl]-2-methylpyridine-4-carboxamide
PubChem CID138049229
Molecular FormulaC20H22N4O3
Molecular Weight366.42 g/mol
Exact Mass366.17
IUPAC NameN-[[4-(1,3-benzoxazol-2-yl)-2-methylmorpholin-2-yl]methyl]-2-methylpyridine-4-carboxamide
SMILESCc1cc(C(=O)NCC2(C)CN(c3nc4ccccc4o3)CCO2)ccn1
InChIInChI=1S/C20H22N4O3/c1-14-11-15(7-8-21-14)18(25)22-12-20(2)13-24(9-10-26-20)19-23-16-5-3-4-6-17(16)27-19/h3-8,11H,9-10,12-13H2,1-2H3,(H,22,25)
InChIKeyDIFNNIZRRCXRNM-UHFFFAOYSA-N
XLogP2.56
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-N-ethylpyridine-4-carboxamide
CID 131907444
N-[[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]methyl]-3,5-dichlorobenzamide
CID 121109471
N-[[1-(1,3-benzoxazol-2-yl)pyrrolidin-2-yl]methyl]-3-methylbenzamide
CID 90619120
N-[[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]methyl]-2-(3-methyl-1,2-oxazol-5-yl)acetamide
CID 131893638
N-[[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]methyl]-2-(4-methylphenoxy)acetamide
CID 121109431
N-[[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]methyl]-2,5-dimethylbenzamide
CID 121109401
7-(1,3-benzoxazol-2-yl)-1,4-dioxa-7-azaspiro[4.4]nonane
CID 130799617
4-(1,3-benzoxazol-2-yl)-2,2-diethyl-1,4-thiazinane 1-oxide
CID 133479475
N-[[(2R)-1-(1,3-benzoxazol-2-yl)pyrrolidin-2-yl]methyl]-5-methylpyrazine-2-carboxamide
CID 99874520
N-[[1-(1,3-benzoxazol-2-yl)pyrrolidin-2-yl]methyl]-3,4-diethoxybenzamide
CID 90619088
2-[ethyl(methyl)amino]-N-[[4-[2-(methoxymethyl)pyrimidin-4-yl]-2-methylmorpholin-2-yl]methyl]acetamide
CID 167857909
N-[[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]methyl]-2-chlorobenzamide
CID 121109413

Frequently Asked Questions

What is the IUPAC name of N-[[4-(1,3-benzoxazol-2-yl)-2-methylmorpholin-2-yl]methyl]-2-methylpyridine-4-carboxamide?
The IUPAC name of N-[[4-(1,3-benzoxazol-2-yl)-2-methylmorpholin-2-yl]methyl]-2-methylpyridine-4-carboxamide (CID 138049229) is N-[[4-(1,3-benzoxazol-2-yl)-2-methylmorpholin-2-yl]methyl]-2-methylpyridine-4-carboxamide.
What is the SMILES notation for N-[[4-(1,3-benzoxazol-2-yl)-2-methylmorpholin-2-yl]methyl]-2-methylpyridine-4-carboxamide?
The canonical SMILES for N-[[4-(1,3-benzoxazol-2-yl)-2-methylmorpholin-2-yl]methyl]-2-methylpyridine-4-carboxamide is Cc1cc(C(=O)NCC2(C)CN(c3nc4ccccc4o3)CCO2)ccn1.
What is the InChIKey of N-[[4-(1,3-benzoxazol-2-yl)-2-methylmorpholin-2-yl]methyl]-2-methylpyridine-4-carboxamide?
The InChIKey is DIFNNIZRRCXRNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O3/c1-14-11-15(7-8-21-14)18(25)22-12-20(2)13-24(9-10-26-20)19-23-16-5-3-4-6-17(16)27-19/h3-8,11H,9-10,12-13H2,1-2H3,(H,22,25).
What are the key properties of N-[[4-(1,3-benzoxazol-2-yl)-2-methylmorpholin-2-yl]methyl]-2-methylpyridine-4-carboxamide?
N-[[4-(1,3-benzoxazol-2-yl)-2-methylmorpholin-2-yl]methyl]-2-methylpyridine-4-carboxamide has a molecular weight of 366.42 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(1,3-benzoxazol-2-yl)-2-methylmorpholin-2-yl]methyl]-2-methylpyridine-4-carboxamide is sourced from PubChem (CID 138049229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).