N,2-dimethyl-3-[methyl-[(3-pyridin-3-ylphenyl)methyl]amino]propanamide

C18H23N3O — CID 75439559

IUPACN,2-dimethyl-3-[methyl-[(3-pyridin-3-ylphenyl)methyl]amino]propanamide
SMILESCNC(=O)C(C)CN(C)Cc1cccc(-c2cccnc2)c1
InChIInChI=1S/C18H23N3O/c1-14(18(22)19-2)12-21(3)13-15-6-4-7-16(10-15)17-8-5-9-20-11-17/h4-11,14H,12-13H2,1-3H3,(H,19,22)
InChIKeyMHOSDNLVGJAAJO-UHFFFAOYSA-N
MW297.40 g/mol
LogP2.56
Rot. Bonds6

About N,2-dimethyl-3-[methyl-[(3-pyridin-3-ylphenyl)methyl]amino]propanamide

N,2-dimethyl-3-[methyl-[(3-pyridin-3-ylphenyl)methyl]amino]propanamide (PubChem CID 75439559) has the molecular formula C18H23N3O and a molecular weight of 297.40 g/mol. Its IUPAC name is N,2-dimethyl-3-[methyl-[(3-pyridin-3-ylphenyl)methyl]amino]propanamide.

Molecular Properties

Compound NameN,2-dimethyl-3-[methyl-[(3-pyridin-3-ylphenyl)methyl]amino]propanamide
PubChem CID75439559
Molecular FormulaC18H23N3O
Molecular Weight297.40 g/mol
Exact Mass297.18
IUPAC NameN,2-dimethyl-3-[methyl-[(3-pyridin-3-ylphenyl)methyl]amino]propanamide
SMILESCNC(=O)C(C)CN(C)Cc1cccc(-c2cccnc2)c1
InChIInChI=1S/C18H23N3O/c1-14(18(22)19-2)12-21(3)13-15-6-4-7-16(10-15)17-8-5-9-20-11-17/h4-11,14H,12-13H2,1-3H3,(H,19,22)
InChIKeyMHOSDNLVGJAAJO-UHFFFAOYSA-N
XLogP2.56
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl (2S)-2-methyl-3-[methyl(pyridin-3-ylmethyl)amino]propanoate
CID 93035101
1,1,1-trifluoropropan-2-yl N-methyl-N-[(3-pyridin-3-ylphenyl)methyl]carbamate
CID 135248757
3-[(6-amino-3-pyridinyl)methyl-methylamino]-N,2-dimethylpropanamide
CID 104870323
N,2-dimethyl-3-[methyl-[[2-(propylamino)-4-pyridinyl]methyl]amino]propanamide
CID 106917955
3-[cyclopropyl-[(3-pyridin-3-ylphenyl)methyl]amino]-2-methyl-3-oxopropanoic acid
CID 122066362
2-[4-[[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]amino]methyl]phenyl]acetic acid
CID 106916306
3-[(3,5-difluoro-4-hydroxyphenyl)methyl-methylamino]-N,2-dimethylpropanamide
CID 103887363
1-(3-pyridin-3-ylphenyl)propan-2-amine
CID 131562841
2-acetamido-3-[methyl(pyridin-3-ylmethyl)amino]propanoic acid
CID 64582503
2-methyl-3-[methyl(pyridin-4-ylmethyl)amino]propanehydrazide
CID 63571999
3-[[3-(aminomethyl)-5-fluorophenyl]methyl-methylamino]-N,2-dimethylpropanamide
CID 106914891
3-[2-[3-[(dimethylamino)methyl]phenyl]imidazol-1-yl]-N,2-dimethylpropanamide
CID 70723626

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-3-[methyl-[(3-pyridin-3-ylphenyl)methyl]amino]propanamide?
The IUPAC name of N,2-dimethyl-3-[methyl-[(3-pyridin-3-ylphenyl)methyl]amino]propanamide (CID 75439559) is N,2-dimethyl-3-[methyl-[(3-pyridin-3-ylphenyl)methyl]amino]propanamide.
What is the SMILES notation for N,2-dimethyl-3-[methyl-[(3-pyridin-3-ylphenyl)methyl]amino]propanamide?
The canonical SMILES for N,2-dimethyl-3-[methyl-[(3-pyridin-3-ylphenyl)methyl]amino]propanamide is CNC(=O)C(C)CN(C)Cc1cccc(-c2cccnc2)c1.
What is the InChIKey of N,2-dimethyl-3-[methyl-[(3-pyridin-3-ylphenyl)methyl]amino]propanamide?
The InChIKey is MHOSDNLVGJAAJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O/c1-14(18(22)19-2)12-21(3)13-15-6-4-7-16(10-15)17-8-5-9-20-11-17/h4-11,14H,12-13H2,1-3H3,(H,19,22).
What are the key properties of N,2-dimethyl-3-[methyl-[(3-pyridin-3-ylphenyl)methyl]amino]propanamide?
N,2-dimethyl-3-[methyl-[(3-pyridin-3-ylphenyl)methyl]amino]propanamide has a molecular weight of 297.40 g/mol, XLogP of 2.56, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-3-[methyl-[(3-pyridin-3-ylphenyl)methyl]amino]propanamide is sourced from PubChem (CID 75439559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).