3-amino-N-[2-[methyl(2-pyridin-2-ylethyl)amino]-2-oxoethyl]-3-phenylpropanamide

C19H24N4O2 — CID 119953602

IUPAC3-amino-N-[2-[methyl(2-pyridin-2-ylethyl)amino]-2-oxoethyl]-3-phenylpropanamide
SMILESCN(CCc1ccccn1)C(=O)CNC(=O)CC(N)c1ccccc1
InChIInChI=1S/C19H24N4O2/c1-23(12-10-16-9-5-6-11-21-16)19(25)14-22-18(24)13-17(20)15-7-3-2-4-8-15/h2-9,11,17H,10,12-14,20H2,1H3,(H,22,24)
InChIKeySHQBKWMVRKENDC-UHFFFAOYSA-N
MW340.43 g/mol
LogP1.29
Rot. Bonds8

About 3-amino-N-[2-[methyl(2-pyridin-2-ylethyl)amino]-2-oxoethyl]-3-phenylpropanamide

3-amino-N-[2-[methyl(2-pyridin-2-ylethyl)amino]-2-oxoethyl]-3-phenylpropanamide (PubChem CID 119953602) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is 3-amino-N-[2-[methyl(2-pyridin-2-ylethyl)amino]-2-oxoethyl]-3-phenylpropanamide.

Molecular Properties

Compound Name3-amino-N-[2-[methyl(2-pyridin-2-ylethyl)amino]-2-oxoethyl]-3-phenylpropanamide
PubChem CID119953602
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC Name3-amino-N-[2-[methyl(2-pyridin-2-ylethyl)amino]-2-oxoethyl]-3-phenylpropanamide
SMILESCN(CCc1ccccn1)C(=O)CNC(=O)CC(N)c1ccccc1
InChIInChI=1S/C19H24N4O2/c1-23(12-10-16-9-5-6-11-21-16)19(25)14-22-18(24)13-17(20)15-7-3-2-4-8-15/h2-9,11,17H,10,12-14,20H2,1H3,(H,22,24)
InChIKeySHQBKWMVRKENDC-UHFFFAOYSA-N
XLogP1.29
TPSA88.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-N-[2-[methyl(2-pyridin-2-ylethyl)amino]-2-oxoethyl]pentanamide
CID 120565270
(2S)-2-amino-3,3-dimethyl-N-[2-[methyl(2-pyridin-2-ylethyl)amino]-2-oxoethyl]butanamide;dihydrochloride
CID 119873322
2-(4-aminophenyl)-N-[2-[methyl(2-pyridin-2-ylethyl)amino]-2-oxoethyl]acetamide;dihydrochloride
CID 119873300
1-amino-N-[2-[methyl(2-pyridin-2-ylethyl)amino]-2-oxoethyl]cyclopentane-1-carboxamide
CID 119873315
3-(2-fluorophenyl)-N-methyl-3-phenyl-N-(2-pyridin-2-ylethyl)propanamide
CID 45210792
2-amino-N-[2-[methyl-[2-oxo-2-[(1-phenyl-2-pyridin-2-ylethyl)amino]ethyl]amino]-2-oxoethyl]acetamide
CID 134541511
N-[2-[methyl-[2-oxo-2-[(1-phenyl-2-pyridin-2-ylethyl)amino]ethyl]amino]-2-oxoethyl]propanamide
CID 134543822
N-methyl-2-[[N'-methyl-N-(3-methylbutyl)carbamimidoyl]amino]-N-(2-pyridin-2-ylethyl)acetamide
CID 110978479
N-[2-[methyl(2-pyridin-2-ylethyl)amino]-2-oxoethyl]-2-pyrrolidin-2-ylacetamide;dihydrochloride
CID 119873338
N-methyl-2-[[N'-methyl-N-[3-(1-phenylethoxy)propyl]carbamimidoyl]amino]-N-(2-pyridin-2-ylethyl)acetamide;hydroiodide
CID 111403644
N-methyl-2-[[N'-methyl-N-(3-methylbutyl)carbamimidoyl]amino]-N-(2-pyridin-2-ylethyl)acetamide;hydroiodide
CID 110978478
(3Z)-3-amino-3-hydroxyimino-N-methyl-N-(2-pyridin-2-ylethyl)propanamide
CID 43156182

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-[methyl(2-pyridin-2-ylethyl)amino]-2-oxoethyl]-3-phenylpropanamide?
The IUPAC name of 3-amino-N-[2-[methyl(2-pyridin-2-ylethyl)amino]-2-oxoethyl]-3-phenylpropanamide (CID 119953602) is 3-amino-N-[2-[methyl(2-pyridin-2-ylethyl)amino]-2-oxoethyl]-3-phenylpropanamide.
What is the SMILES notation for 3-amino-N-[2-[methyl(2-pyridin-2-ylethyl)amino]-2-oxoethyl]-3-phenylpropanamide?
The canonical SMILES for 3-amino-N-[2-[methyl(2-pyridin-2-ylethyl)amino]-2-oxoethyl]-3-phenylpropanamide is CN(CCc1ccccn1)C(=O)CNC(=O)CC(N)c1ccccc1.
What is the InChIKey of 3-amino-N-[2-[methyl(2-pyridin-2-ylethyl)amino]-2-oxoethyl]-3-phenylpropanamide?
The InChIKey is SHQBKWMVRKENDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2/c1-23(12-10-16-9-5-6-11-21-16)19(25)14-22-18(24)13-17(20)15-7-3-2-4-8-15/h2-9,11,17H,10,12-14,20H2,1H3,(H,22,24).
What are the key properties of 3-amino-N-[2-[methyl(2-pyridin-2-ylethyl)amino]-2-oxoethyl]-3-phenylpropanamide?
3-amino-N-[2-[methyl(2-pyridin-2-ylethyl)amino]-2-oxoethyl]-3-phenylpropanamide has a molecular weight of 340.43 g/mol, XLogP of 1.29, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-[methyl(2-pyridin-2-ylethyl)amino]-2-oxoethyl]-3-phenylpropanamide is sourced from PubChem (CID 119953602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).