4-(4-methylphenyl)-N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)-4-oxobutanamide

C22H27N3O3 — CID 110304051

IUPAC4-(4-methylphenyl)-N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)-4-oxobutanamide
SMILESCc1ccc(C(=O)CCC(=O)NCC(c2cccnc2)N2CCOCC2)cc1
InChIInChI=1S/C22H27N3O3/c1-17-4-6-18(7-5-17)21(26)8-9-22(27)24-16-20(19-3-2-10-23-15-19)25-11-13-28-14-12-25/h2-7,10,15,20H,8-9,11-14,16H2,1H3,(H,24,27)
InChIKeyQBCSQVPFVXSCOO-UHFFFAOYSA-N
MW381.48 g/mol
LogP2.54
Rot. Bonds8

About 4-(4-methylphenyl)-N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)-4-oxobutanamide

4-(4-methylphenyl)-N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)-4-oxobutanamide (PubChem CID 110304051) has the molecular formula C22H27N3O3 and a molecular weight of 381.48 g/mol. Its IUPAC name is 4-(4-methylphenyl)-N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)-4-oxobutanamide.

Molecular Properties

Compound Name4-(4-methylphenyl)-N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)-4-oxobutanamide
PubChem CID110304051
Molecular FormulaC22H27N3O3
Molecular Weight381.48 g/mol
Exact Mass381.21
IUPAC Name4-(4-methylphenyl)-N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)-4-oxobutanamide
SMILESCc1ccc(C(=O)CCC(=O)NCC(c2cccnc2)N2CCOCC2)cc1
InChIInChI=1S/C22H27N3O3/c1-17-4-6-18(7-5-17)21(26)8-9-22(27)24-16-20(19-3-2-10-23-15-19)25-11-13-28-14-12-25/h2-7,10,15,20H,8-9,11-14,16H2,1H3,(H,24,27)
InChIKeyQBCSQVPFVXSCOO-UHFFFAOYSA-N
XLogP2.54
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(4-methylphenyl)-N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)butanamide
CID 110304070
methyl N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)carbamate
CID 5310569
N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)benzamide
CID 16806482
N-[(2R)-2-morpholin-4-yl-2-pyridin-3-ylethyl]-2-pyridin-4-ylsulfanylacetamide
CID 99950839
4-bromo-N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)benzamide
CID 112506372
ethyl 2-[(2-morpholin-4-yl-2-pyridin-3-ylethyl)amino]-2-oxoacetate
CID 45497405
3-(4-methylphenyl)-N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)-1H-pyrazole-5-carboxamide
CID 131895533
N-[(2S)-2-morpholin-4-yl-2-pyridin-4-ylethyl]-3-pyridin-3-ylpropanamide
CID 99927332
2-(cyclopropylmethylsulfanyl)-N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)acetamide
CID 90652629
N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]butanamide;hydrochloride
CID 52984360
4-methyl-N-[(2S)-2-morpholin-4-yl-2-pyridin-3-ylethyl]benzenesulfonamide
CID 30888568
2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[(2S)-2-morpholin-4-yl-2-pyridin-3-ylethyl]acetamide
CID 126428078

Frequently Asked Questions

What is the IUPAC name of 4-(4-methylphenyl)-N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)-4-oxobutanamide?
The IUPAC name of 4-(4-methylphenyl)-N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)-4-oxobutanamide (CID 110304051) is 4-(4-methylphenyl)-N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)-4-oxobutanamide.
What is the SMILES notation for 4-(4-methylphenyl)-N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)-4-oxobutanamide?
The canonical SMILES for 4-(4-methylphenyl)-N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)-4-oxobutanamide is Cc1ccc(C(=O)CCC(=O)NCC(c2cccnc2)N2CCOCC2)cc1.
What is the InChIKey of 4-(4-methylphenyl)-N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)-4-oxobutanamide?
The InChIKey is QBCSQVPFVXSCOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O3/c1-17-4-6-18(7-5-17)21(26)8-9-22(27)24-16-20(19-3-2-10-23-15-19)25-11-13-28-14-12-25/h2-7,10,15,20H,8-9,11-14,16H2,1H3,(H,24,27).
What are the key properties of 4-(4-methylphenyl)-N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)-4-oxobutanamide?
4-(4-methylphenyl)-N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)-4-oxobutanamide has a molecular weight of 381.48 g/mol, XLogP of 2.54, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylphenyl)-N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)-4-oxobutanamide is sourced from PubChem (CID 110304051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).