N-[(S)-(3,4-dimethylphenyl)-pyridin-4-ylmethyl]-3-morpholin-4-ylpropanamide

C21H27N3O2 — CID 92558587

IUPACN-[(S)-(3,4-dimethylphenyl)-pyridin-4-ylmethyl]-3-morpholin-4-ylpropanamide
SMILESCc1ccc([C@H](NC(=O)CCN2CCOCC2)c2ccncc2)cc1C
InChIInChI=1S/C21H27N3O2/c1-16-3-4-19(15-17(16)2)21(18-5-8-22-9-6-18)23-20(25)7-10-24-11-13-26-14-12-24/h3-6,8-9,15,21H,7,10-14H2,1-2H3,(H,23,25)/t21-/m1/s1
InChIKeyRVHZGIDBKOHRMX-OAQYLSRUSA-N
MW353.47 g/mol
LogP2.63
Rot. Bonds6

About N-[(S)-(3,4-dimethylphenyl)-pyridin-4-ylmethyl]-3-morpholin-4-ylpropanamide

N-[(S)-(3,4-dimethylphenyl)-pyridin-4-ylmethyl]-3-morpholin-4-ylpropanamide (PubChem CID 92558587) has the molecular formula C21H27N3O2 and a molecular weight of 353.47 g/mol. Its IUPAC name is N-[(S)-(3,4-dimethylphenyl)-pyridin-4-ylmethyl]-3-morpholin-4-ylpropanamide.

Molecular Properties

Compound NameN-[(S)-(3,4-dimethylphenyl)-pyridin-4-ylmethyl]-3-morpholin-4-ylpropanamide
PubChem CID92558587
Molecular FormulaC21H27N3O2
Molecular Weight353.47 g/mol
Exact Mass353.21
IUPAC NameN-[(S)-(3,4-dimethylphenyl)-pyridin-4-ylmethyl]-3-morpholin-4-ylpropanamide
SMILESCc1ccc([C@H](NC(=O)CCN2CCOCC2)c2ccncc2)cc1C
InChIInChI=1S/C21H27N3O2/c1-16-3-4-19(15-17(16)2)21(18-5-8-22-9-6-18)23-20(25)7-10-24-11-13-26-14-12-24/h3-6,8-9,15,21H,7,10-14H2,1-2H3,(H,23,25)/t21-/m1/s1
InChIKeyRVHZGIDBKOHRMX-OAQYLSRUSA-N
XLogP2.63
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(R)-(3,4-dimethylphenyl)-pyridin-4-ylmethyl]-3-morpholin-4-ylpropanamide
CID 92558586
N-[(S)-(3,4-dimethylphenyl)-pyridin-4-ylmethyl]-2-morpholin-4-ylpyridine-4-carboxamide
CID 51585948
N-[(4-fluorophenyl)-pyridin-4-ylmethyl]-2-morpholin-4-ylacetamide
CID 110444227
N-[(2-methylphenyl)-pyridin-4-ylmethyl]-3-(4-methylpiperazin-1-yl)propanamide
CID 118789936
4-(azepan-1-yl)-N-[(R)-(2,5-dimethylphenyl)-pyridin-4-ylmethyl]butanamide
CID 92556031
1-methyl-3-[(R)-(2-methylphenyl)-pyridin-4-ylmethyl]-1-(3-morpholin-4-ylpropyl)urea
CID 126436882
2-(4-ethylpiperazin-1-yl)-N-[(S)-(4-methylphenyl)-pyridin-4-ylmethyl]acetamide
CID 99991788
N-[2-(methylamino)-2-oxo-1-phenylethyl]-3-morpholin-4-ylpropanamide
CID 91764597
5-N-(3,4-dimethylphenyl)-3-N-(2-morpholin-4-ylethyl)pyridine-3,5-dicarboxamide
CID 109104222
[(3,4-dimethylphenyl)-pyridin-4-ylmethyl]hydrazine
CID 105196557
N-[(R)-(2,5-dimethylphenyl)-pyridin-4-ylmethyl]-4-imidazol-1-ylbutanamide
CID 51584924
N-(2-chloro-4,6-dimethylphenyl)-3-morpholin-4-ylpropanamide
CID 110688490

Frequently Asked Questions

What is the IUPAC name of N-[(S)-(3,4-dimethylphenyl)-pyridin-4-ylmethyl]-3-morpholin-4-ylpropanamide?
The IUPAC name of N-[(S)-(3,4-dimethylphenyl)-pyridin-4-ylmethyl]-3-morpholin-4-ylpropanamide (CID 92558587) is N-[(S)-(3,4-dimethylphenyl)-pyridin-4-ylmethyl]-3-morpholin-4-ylpropanamide.
What is the SMILES notation for N-[(S)-(3,4-dimethylphenyl)-pyridin-4-ylmethyl]-3-morpholin-4-ylpropanamide?
The canonical SMILES for N-[(S)-(3,4-dimethylphenyl)-pyridin-4-ylmethyl]-3-morpholin-4-ylpropanamide is Cc1ccc([C@H](NC(=O)CCN2CCOCC2)c2ccncc2)cc1C.
What is the InChIKey of N-[(S)-(3,4-dimethylphenyl)-pyridin-4-ylmethyl]-3-morpholin-4-ylpropanamide?
The InChIKey is RVHZGIDBKOHRMX-OAQYLSRUSA-N. The full InChI is InChI=1S/C21H27N3O2/c1-16-3-4-19(15-17(16)2)21(18-5-8-22-9-6-18)23-20(25)7-10-24-11-13-26-14-12-24/h3-6,8-9,15,21H,7,10-14H2,1-2H3,(H,23,25)/t21-/m1/s1.
What are the key properties of N-[(S)-(3,4-dimethylphenyl)-pyridin-4-ylmethyl]-3-morpholin-4-ylpropanamide?
N-[(S)-(3,4-dimethylphenyl)-pyridin-4-ylmethyl]-3-morpholin-4-ylpropanamide has a molecular weight of 353.47 g/mol, XLogP of 2.63, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(S)-(3,4-dimethylphenyl)-pyridin-4-ylmethyl]-3-morpholin-4-ylpropanamide is sourced from PubChem (CID 92558587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).