N-methyl-3-(2-morpholin-4-ylanilino)-N-(2-pyridin-4-ylethyl)propanamide

C21H28N4O2 — CID 109026104

IUPACN-methyl-3-(2-morpholin-4-ylanilino)-N-(2-pyridin-4-ylethyl)propanamide
SMILESCN(CCc1ccncc1)C(=O)CCNc1ccccc1N1CCOCC1
InChIInChI=1S/C21H28N4O2/c1-24(13-9-18-6-10-22-11-7-18)21(26)8-12-23-19-4-2-3-5-20(19)25-14-16-27-17-15-25/h2-7,10-11,23H,8-9,12-17H2,1H3
InChIKeyZMUSUTLXVDNGCF-UHFFFAOYSA-N
MW368.48 g/mol
LogP2.42
Rot. Bonds8

About N-methyl-3-(2-morpholin-4-ylanilino)-N-(2-pyridin-4-ylethyl)propanamide

N-methyl-3-(2-morpholin-4-ylanilino)-N-(2-pyridin-4-ylethyl)propanamide (PubChem CID 109026104) has the molecular formula C21H28N4O2 and a molecular weight of 368.48 g/mol. Its IUPAC name is N-methyl-3-(2-morpholin-4-ylanilino)-N-(2-pyridin-4-ylethyl)propanamide.

Molecular Properties

Compound NameN-methyl-3-(2-morpholin-4-ylanilino)-N-(2-pyridin-4-ylethyl)propanamide
PubChem CID109026104
Molecular FormulaC21H28N4O2
Molecular Weight368.48 g/mol
Exact Mass368.22
IUPAC NameN-methyl-3-(2-morpholin-4-ylanilino)-N-(2-pyridin-4-ylethyl)propanamide
SMILESCN(CCc1ccncc1)C(=O)CCNc1ccccc1N1CCOCC1
InChIInChI=1S/C21H28N4O2/c1-24(13-9-18-6-10-22-11-7-18)21(26)8-12-23-19-4-2-3-5-20(19)25-14-16-27-17-15-25/h2-7,10-11,23H,8-9,12-17H2,1H3
InChIKeyZMUSUTLXVDNGCF-UHFFFAOYSA-N
XLogP2.42
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N'-methyl-N-(2-morpholin-4-ylphenyl)-N'-(2-pyridin-4-ylethyl)propanediamide
CID 108948987
N-butyl-N-methyl-3-(2-morpholin-4-ylanilino)propanamide
CID 109032404
3-(2-ethylanilino)-N-methyl-N-(2-pyridin-4-ylethyl)propanamide
CID 109026051
N-methyl-3-(2-propan-2-ylanilino)-N-(2-pyridin-4-ylethyl)propanamide
CID 109026055
2-morpholin-4-yl-N-(pyridin-4-ylmethyl)aniline
CID 43229589
N-(2-morpholin-4-ylphenyl)-3-(pyridin-4-ylmethylamino)propanamide
CID 109024044
3-(tert-butylamino)-N-methyl-N-(2-pyridin-4-ylethyl)propanamide
CID 54943632
3-[4-(2-methoxyphenyl)piperazin-1-yl]-N-methyl-N-(2-pyridin-4-ylethyl)propanamide
CID 109026014
3-N-methyl-5-N-(2-morpholin-4-ylphenyl)-3-N-(2-pyridin-4-ylethyl)-1,2,4-triazine-3,5-diamine
CID 112954784
2-(2,3-dihydroindol-1-yl)-N-methyl-N-(2-pyridin-4-ylethyl)acetamide
CID 109001520
N-(2-ethylphenyl)-3-(2-morpholin-4-ylanilino)propanamide
CID 109036145
N-(2-methoxyethyl)-3-(2-morpholin-4-ylanilino)propanamide
CID 109015107

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(2-morpholin-4-ylanilino)-N-(2-pyridin-4-ylethyl)propanamide?
The IUPAC name of N-methyl-3-(2-morpholin-4-ylanilino)-N-(2-pyridin-4-ylethyl)propanamide (CID 109026104) is N-methyl-3-(2-morpholin-4-ylanilino)-N-(2-pyridin-4-ylethyl)propanamide.
What is the SMILES notation for N-methyl-3-(2-morpholin-4-ylanilino)-N-(2-pyridin-4-ylethyl)propanamide?
The canonical SMILES for N-methyl-3-(2-morpholin-4-ylanilino)-N-(2-pyridin-4-ylethyl)propanamide is CN(CCc1ccncc1)C(=O)CCNc1ccccc1N1CCOCC1.
What is the InChIKey of N-methyl-3-(2-morpholin-4-ylanilino)-N-(2-pyridin-4-ylethyl)propanamide?
The InChIKey is ZMUSUTLXVDNGCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O2/c1-24(13-9-18-6-10-22-11-7-18)21(26)8-12-23-19-4-2-3-5-20(19)25-14-16-27-17-15-25/h2-7,10-11,23H,8-9,12-17H2,1H3.
What are the key properties of N-methyl-3-(2-morpholin-4-ylanilino)-N-(2-pyridin-4-ylethyl)propanamide?
N-methyl-3-(2-morpholin-4-ylanilino)-N-(2-pyridin-4-ylethyl)propanamide has a molecular weight of 368.48 g/mol, XLogP of 2.42, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(2-morpholin-4-ylanilino)-N-(2-pyridin-4-ylethyl)propanamide is sourced from PubChem (CID 109026104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).