2-methoxy-N-[3-[(6-methyl-2-pyridinyl)amino]-3-oxopropyl]benzamide

C17H19N3O3 — CID 17462644

IUPAC2-methoxy-N-[3-[(6-methyl-2-pyridinyl)amino]-3-oxopropyl]benzamide
SMILESCOc1ccccc1C(=O)NCCC(=O)Nc1cccc(C)n1
InChIInChI=1S/C17H19N3O3/c1-12-6-5-9-15(19-12)20-16(21)10-11-18-17(22)13-7-3-4-8-14(13)23-2/h3-9H,10-11H2,1-2H3,(H,18,22)(H,19,20,21)
InChIKeyAGRSNZITSHYZFS-UHFFFAOYSA-N
MW313.36 g/mol
LogP2.16
Rot. Bonds6

About 2-methoxy-N-[3-[(6-methyl-2-pyridinyl)amino]-3-oxopropyl]benzamide

2-methoxy-N-[3-[(6-methyl-2-pyridinyl)amino]-3-oxopropyl]benzamide (PubChem CID 17462644) has the molecular formula C17H19N3O3 and a molecular weight of 313.36 g/mol. Its IUPAC name is 2-methoxy-N-[3-[(6-methyl-2-pyridinyl)amino]-3-oxopropyl]benzamide.

Molecular Properties

Compound Name2-methoxy-N-[3-[(6-methyl-2-pyridinyl)amino]-3-oxopropyl]benzamide
PubChem CID17462644
Molecular FormulaC17H19N3O3
Molecular Weight313.36 g/mol
Exact Mass313.14
IUPAC Name2-methoxy-N-[3-[(6-methyl-2-pyridinyl)amino]-3-oxopropyl]benzamide
SMILESCOc1ccccc1C(=O)NCCC(=O)Nc1cccc(C)n1
InChIInChI=1S/C17H19N3O3/c1-12-6-5-9-15(19-12)20-16(21)10-11-18-17(22)13-7-3-4-8-14(13)23-2/h3-9H,10-11H2,1-2H3,(H,18,22)(H,19,20,21)
InChIKeyAGRSNZITSHYZFS-UHFFFAOYSA-N
XLogP2.16
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 ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[3-[(6-methyl-2-pyridinyl)amino]-3-oxopropyl]benzamide?
The IUPAC name of 2-methoxy-N-[3-[(6-methyl-2-pyridinyl)amino]-3-oxopropyl]benzamide (CID 17462644) is 2-methoxy-N-[3-[(6-methyl-2-pyridinyl)amino]-3-oxopropyl]benzamide.
What is the SMILES notation for 2-methoxy-N-[3-[(6-methyl-2-pyridinyl)amino]-3-oxopropyl]benzamide?
The canonical SMILES for 2-methoxy-N-[3-[(6-methyl-2-pyridinyl)amino]-3-oxopropyl]benzamide is COc1ccccc1C(=O)NCCC(=O)Nc1cccc(C)n1.
What is the InChIKey of 2-methoxy-N-[3-[(6-methyl-2-pyridinyl)amino]-3-oxopropyl]benzamide?
The InChIKey is AGRSNZITSHYZFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O3/c1-12-6-5-9-15(19-12)20-16(21)10-11-18-17(22)13-7-3-4-8-14(13)23-2/h3-9H,10-11H2,1-2H3,(H,18,22)(H,19,20,21).
What are the key properties of 2-methoxy-N-[3-[(6-methyl-2-pyridinyl)amino]-3-oxopropyl]benzamide?
2-methoxy-N-[3-[(6-methyl-2-pyridinyl)amino]-3-oxopropyl]benzamide has a molecular weight of 313.36 g/mol, XLogP of 2.16, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[3-[(6-methyl-2-pyridinyl)amino]-3-oxopropyl]benzamide is sourced from PubChem (CID 17462644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).