N-benzyl-2-methyl-N-[1-oxo-1-(pyridin-3-ylmethylamino)propan-2-yl]propanamide

C20H25N3O2 — CID 133148944

IUPACN-benzyl-2-methyl-N-[1-oxo-1-(pyridin-3-ylmethylamino)propan-2-yl]propanamide
SMILESCC(C)C(=O)N(Cc1ccccc1)C(C)C(=O)NCc1cccnc1
InChIInChI=1S/C20H25N3O2/c1-15(2)20(25)23(14-17-8-5-4-6-9-17)16(3)19(24)22-13-18-10-7-11-21-12-18/h4-12,15-16H,13-14H2,1-3H3,(H,22,24)
InChIKeyXJCVCCYWZXGQPA-UHFFFAOYSA-N
MW339.44 g/mol
LogP2.77
Rot. Bonds7

About N-benzyl-2-methyl-N-[1-oxo-1-(pyridin-3-ylmethylamino)propan-2-yl]propanamide

N-benzyl-2-methyl-N-[1-oxo-1-(pyridin-3-ylmethylamino)propan-2-yl]propanamide (PubChem CID 133148944) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is N-benzyl-2-methyl-N-[1-oxo-1-(pyridin-3-ylmethylamino)propan-2-yl]propanamide.

Molecular Properties

Compound NameN-benzyl-2-methyl-N-[1-oxo-1-(pyridin-3-ylmethylamino)propan-2-yl]propanamide
PubChem CID133148944
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC NameN-benzyl-2-methyl-N-[1-oxo-1-(pyridin-3-ylmethylamino)propan-2-yl]propanamide
SMILESCC(C)C(=O)N(Cc1ccccc1)C(C)C(=O)NCc1cccnc1
InChIInChI=1S/C20H25N3O2/c1-15(2)20(25)23(14-17-8-5-4-6-9-17)16(3)19(24)22-13-18-10-7-11-21-12-18/h4-12,15-16H,13-14H2,1-3H3,(H,22,24)
InChIKeyXJCVCCYWZXGQPA-UHFFFAOYSA-N
XLogP2.77
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[benzyl-(2-phenoxyacetyl)amino]-N-(pyridin-3-ylmethyl)propanamide
CID 133149053
1-benzyl-1-propan-2-yl-3-(pyridin-3-ylmethyl)urea
CID 110706279
2-[(4-chlorophenyl)methyl-(3-phenylpropanoyl)amino]-N-(pyridin-3-ylmethyl)propanamide
CID 133149502
2-[(4-methoxyphenyl)methyl-(2-phenoxyacetyl)amino]-N-(pyridin-3-ylmethyl)propanamide
CID 133213694
N-benzyl-2-methyl-N-[1-(3-methylbutylamino)-1-oxopropan-2-yl]propanamide
CID 133148950
N-[(4-chlorophenyl)methyl]-N-[1-oxo-1-(pyridin-3-ylmethylamino)propan-2-yl]butanamide
CID 133149417
2-methyl-N-(pyridin-3-ylmethyl)-3-sulfanylpropanamide
CID 88670625
(2R)-2-(diethylamino)-2-phenyl-N-(pyridin-3-ylmethyl)acetamide
CID 95151104
N-benzyl-2-[benzyl(propanoyl)amino]propanamide
CID 133148772
2-phenylmethoxy-N-(pyridin-3-ylmethyl)propanamide
CID 42959352
(2S)-2-benzylsulfanyl-N-(pyridin-3-ylmethyl)propanamide
CID 958330
2-benzylsulfanyl-N-(pyridin-3-ylmethyl)propanamide
CID 2898433

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-methyl-N-[1-oxo-1-(pyridin-3-ylmethylamino)propan-2-yl]propanamide?
The IUPAC name of N-benzyl-2-methyl-N-[1-oxo-1-(pyridin-3-ylmethylamino)propan-2-yl]propanamide (CID 133148944) is N-benzyl-2-methyl-N-[1-oxo-1-(pyridin-3-ylmethylamino)propan-2-yl]propanamide.
What is the SMILES notation for N-benzyl-2-methyl-N-[1-oxo-1-(pyridin-3-ylmethylamino)propan-2-yl]propanamide?
The canonical SMILES for N-benzyl-2-methyl-N-[1-oxo-1-(pyridin-3-ylmethylamino)propan-2-yl]propanamide is CC(C)C(=O)N(Cc1ccccc1)C(C)C(=O)NCc1cccnc1.
What is the InChIKey of N-benzyl-2-methyl-N-[1-oxo-1-(pyridin-3-ylmethylamino)propan-2-yl]propanamide?
The InChIKey is XJCVCCYWZXGQPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2/c1-15(2)20(25)23(14-17-8-5-4-6-9-17)16(3)19(24)22-13-18-10-7-11-21-12-18/h4-12,15-16H,13-14H2,1-3H3,(H,22,24).
What are the key properties of N-benzyl-2-methyl-N-[1-oxo-1-(pyridin-3-ylmethylamino)propan-2-yl]propanamide?
N-benzyl-2-methyl-N-[1-oxo-1-(pyridin-3-ylmethylamino)propan-2-yl]propanamide has a molecular weight of 339.44 g/mol, XLogP of 2.77, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-methyl-N-[1-oxo-1-(pyridin-3-ylmethylamino)propan-2-yl]propanamide is sourced from PubChem (CID 133148944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).