2-methyl-3-(methylamino)-N-[phenyl(pyridin-3-yl)methyl]propanamide

C17H21N3O — CID 119875686

IUPAC2-methyl-3-(methylamino)-N-[phenyl(pyridin-3-yl)methyl]propanamide
SMILESCNCC(C)C(=O)NC(c1ccccc1)c1cccnc1
InChIInChI=1S/C17H21N3O/c1-13(11-18-2)17(21)20-16(14-7-4-3-5-8-14)15-9-6-10-19-12-15/h3-10,12-13,16,18H,11H2,1-2H3,(H,20,21)
InChIKeyYREJWCQNIGNGTM-UHFFFAOYSA-N
MW283.38 g/mol
LogP2.14
Rot. Bonds6

About 2-methyl-3-(methylamino)-N-[phenyl(pyridin-3-yl)methyl]propanamide

2-methyl-3-(methylamino)-N-[phenyl(pyridin-3-yl)methyl]propanamide (PubChem CID 119875686) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is 2-methyl-3-(methylamino)-N-[phenyl(pyridin-3-yl)methyl]propanamide.

Molecular Properties

Compound Name2-methyl-3-(methylamino)-N-[phenyl(pyridin-3-yl)methyl]propanamide
PubChem CID119875686
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC Name2-methyl-3-(methylamino)-N-[phenyl(pyridin-3-yl)methyl]propanamide
SMILESCNCC(C)C(=O)NC(c1ccccc1)c1cccnc1
InChIInChI=1S/C17H21N3O/c1-13(11-18-2)17(21)20-16(14-7-4-3-5-8-14)15-9-6-10-19-12-15/h3-10,12-13,16,18H,11H2,1-2H3,(H,20,21)
InChIKeyYREJWCQNIGNGTM-UHFFFAOYSA-N
XLogP2.14
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3,4-dichlorophenyl)-phenylmethyl]-2-methyl-3-(methylamino)propanamide
CID 119740356
2-amino-N-[phenyl(pyridin-3-yl)methyl]pentanamide
CID 119875674
2-methyl-3-(methylamino)-N-(1-phenylethyl)propanamide;hydrochloride
CID 119669709
2-methyl-3-(methylamino)-N-[(3-methylsulfonylphenyl)-phenylmethyl]propanamide;hydrochloride
CID 119796978
3-(ethylamino)-2-methyl-N-[(1S)-1-pyridin-3-ylethyl]propanamide
CID 81404636
N-[(S)-(4-methylphenyl)-pyridin-3-ylmethyl]benzamide
CID 92500168
N-[3H-benzimidazol-5-yl(phenyl)methyl]-2-methyl-3-(methylamino)propanamide;dihydrochloride
CID 119840627
(1S)-2-(methylamino)-1-pyridin-3-ylethanol
CID 10171254
N-[(R)-(3,4-dimethylphenyl)-pyridin-3-ylmethyl]-2-methylpropanamide
CID 92500236
2-(2-methoxyethylamino)-N-[phenyl(pyridin-3-yl)methyl]acetamide
CID 119875696
N-[2-(methylamino)ethyl]-2-pyridin-3-ylpropanamide
CID 119500824
(3S)-4-methyl-3-pyridin-3-ylpentanoic acid
CID 95426489

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(methylamino)-N-[phenyl(pyridin-3-yl)methyl]propanamide?
The IUPAC name of 2-methyl-3-(methylamino)-N-[phenyl(pyridin-3-yl)methyl]propanamide (CID 119875686) is 2-methyl-3-(methylamino)-N-[phenyl(pyridin-3-yl)methyl]propanamide.
What is the SMILES notation for 2-methyl-3-(methylamino)-N-[phenyl(pyridin-3-yl)methyl]propanamide?
The canonical SMILES for 2-methyl-3-(methylamino)-N-[phenyl(pyridin-3-yl)methyl]propanamide is CNCC(C)C(=O)NC(c1ccccc1)c1cccnc1.
What is the InChIKey of 2-methyl-3-(methylamino)-N-[phenyl(pyridin-3-yl)methyl]propanamide?
The InChIKey is YREJWCQNIGNGTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c1-13(11-18-2)17(21)20-16(14-7-4-3-5-8-14)15-9-6-10-19-12-15/h3-10,12-13,16,18H,11H2,1-2H3,(H,20,21).
What are the key properties of 2-methyl-3-(methylamino)-N-[phenyl(pyridin-3-yl)methyl]propanamide?
2-methyl-3-(methylamino)-N-[phenyl(pyridin-3-yl)methyl]propanamide has a molecular weight of 283.38 g/mol, XLogP of 2.14, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(methylamino)-N-[phenyl(pyridin-3-yl)methyl]propanamide is sourced from PubChem (CID 119875686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).