N-[1-[(2-methoxy-4-pyridinyl)methylamino]-1-oxopropan-2-yl]benzamide

C17H19N3O3 — CID 86919506

IUPACN-[1-[(2-methoxy-4-pyridinyl)methylamino]-1-oxopropan-2-yl]benzamide
SMILESCOc1cc(CNC(=O)C(C)NC(=O)c2ccccc2)ccn1
InChIInChI=1S/C17H19N3O3/c1-12(20-17(22)14-6-4-3-5-7-14)16(21)19-11-13-8-9-18-15(10-13)23-2/h3-10,12H,11H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyJSDUUGXAGBCYNM-UHFFFAOYSA-N
MW313.36 g/mol
LogP1.52
Rot. Bonds6

About N-[1-[(2-methoxy-4-pyridinyl)methylamino]-1-oxopropan-2-yl]benzamide

N-[1-[(2-methoxy-4-pyridinyl)methylamino]-1-oxopropan-2-yl]benzamide (PubChem CID 86919506) has the molecular formula C17H19N3O3 and a molecular weight of 313.36 g/mol. Its IUPAC name is N-[1-[(2-methoxy-4-pyridinyl)methylamino]-1-oxopropan-2-yl]benzamide.

Molecular Properties

Compound NameN-[1-[(2-methoxy-4-pyridinyl)methylamino]-1-oxopropan-2-yl]benzamide
PubChem CID86919506
Molecular FormulaC17H19N3O3
Molecular Weight313.36 g/mol
Exact Mass313.14
IUPAC NameN-[1-[(2-methoxy-4-pyridinyl)methylamino]-1-oxopropan-2-yl]benzamide
SMILESCOc1cc(CNC(=O)C(C)NC(=O)c2ccccc2)ccn1
InChIInChI=1S/C17H19N3O3/c1-12(20-17(22)14-6-4-3-5-7-14)16(21)19-11-13-8-9-18-15(10-13)23-2/h3-10,12H,11H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyJSDUUGXAGBCYNM-UHFFFAOYSA-N
XLogP1.52
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-[(2R)-1-[(2-methoxy-4-pyridinyl)methylamino]-1-oxopropan-2-yl]benzamide
CID 25346113
N-[1-[(2-cyclopentyloxy-4-pyridinyl)methylamino]-1-oxopropan-2-yl]benzamide
CID 86981506
N-[1-oxo-1-(pyridin-4-ylmethylamino)propan-2-yl]benzamide
CID 10107876
N-[2-[(2-methoxy-4-pyridinyl)methylamino]-2-oxoethyl]benzamide
CID 25343533
N-[1-oxo-1-[(2-phenoxy-4-pyridinyl)methylamino]propan-2-yl]furan-3-carboxamide
CID 47057211
4-fluoro-N-[1-[(2-methoxy-4-pyridinyl)methylamino]-3-methyl-1-oxobutan-2-yl]benzamide
CID 55540257
1-[(2-methoxy-4-pyridinyl)methyl]-3-(4-phenylbutan-2-yl)urea
CID 42891763
N-[(2-methoxy-4-pyridinyl)methyl]pyridine-4-carboxamide
CID 47142420
N-[1-[(2-methoxyphenyl)methylamino]-1-oxopropan-2-yl]benzamide
CID 18159105
3-amino-N-[(2-methoxy-4-pyridinyl)methyl]benzamide
CID 62072661
N-[(2S)-1-[2-[[(2S)-2-benzamidopropanoyl]amino]ethylamino]-1-oxopropan-2-yl]benzamide
CID 71491153
1-[(2-methoxy-4-pyridinyl)methyl]-2-methyl-3-(4-phenylbutan-2-yl)guanidine;hydroiodide
CID 111171902

Frequently Asked Questions

What is the IUPAC name of N-[1-[(2-methoxy-4-pyridinyl)methylamino]-1-oxopropan-2-yl]benzamide?
The IUPAC name of N-[1-[(2-methoxy-4-pyridinyl)methylamino]-1-oxopropan-2-yl]benzamide (CID 86919506) is N-[1-[(2-methoxy-4-pyridinyl)methylamino]-1-oxopropan-2-yl]benzamide.
What is the SMILES notation for N-[1-[(2-methoxy-4-pyridinyl)methylamino]-1-oxopropan-2-yl]benzamide?
The canonical SMILES for N-[1-[(2-methoxy-4-pyridinyl)methylamino]-1-oxopropan-2-yl]benzamide is COc1cc(CNC(=O)C(C)NC(=O)c2ccccc2)ccn1.
What is the InChIKey of N-[1-[(2-methoxy-4-pyridinyl)methylamino]-1-oxopropan-2-yl]benzamide?
The InChIKey is JSDUUGXAGBCYNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O3/c1-12(20-17(22)14-6-4-3-5-7-14)16(21)19-11-13-8-9-18-15(10-13)23-2/h3-10,12H,11H2,1-2H3,(H,19,21)(H,20,22).
What are the key properties of N-[1-[(2-methoxy-4-pyridinyl)methylamino]-1-oxopropan-2-yl]benzamide?
N-[1-[(2-methoxy-4-pyridinyl)methylamino]-1-oxopropan-2-yl]benzamide has a molecular weight of 313.36 g/mol, XLogP of 1.52, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2-methoxy-4-pyridinyl)methylamino]-1-oxopropan-2-yl]benzamide is sourced from PubChem (CID 86919506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).