3-methoxy-N-[6-(2-methylpropanoylamino)-3-pyridinyl]benzamide

C17H19N3O3 — CID 652539

IUPAC3-methoxy-N-[6-(2-methylpropanoylamino)-3-pyridinyl]benzamide
SMILESCOc1cccc(C(=O)Nc2ccc(NC(=O)C(C)C)nc2)c1
InChIInChI=1S/C17H19N3O3/c1-11(2)16(21)20-15-8-7-13(10-18-15)19-17(22)12-5-4-6-14(9-12)23-3/h4-11H,1-3H3,(H,19,22)(H,18,20,21)
InChIKeyYPLSBDMOKAWKNV-UHFFFAOYSA-N
MW313.36 g/mol
LogP2.94
Rot. Bonds5

About 3-methoxy-N-[6-(2-methylpropanoylamino)-3-pyridinyl]benzamide

3-methoxy-N-[6-(2-methylpropanoylamino)-3-pyridinyl]benzamide (PubChem CID 652539) has the molecular formula C17H19N3O3 and a molecular weight of 313.36 g/mol. Its IUPAC name is 3-methoxy-N-[6-(2-methylpropanoylamino)-3-pyridinyl]benzamide.

Molecular Properties

Compound Name3-methoxy-N-[6-(2-methylpropanoylamino)-3-pyridinyl]benzamide
PubChem CID652539
Molecular FormulaC17H19N3O3
Molecular Weight313.36 g/mol
Exact Mass313.14
IUPAC Name3-methoxy-N-[6-(2-methylpropanoylamino)-3-pyridinyl]benzamide
SMILESCOc1cccc(C(=O)Nc2ccc(NC(=O)C(C)C)nc2)c1
InChIInChI=1S/C17H19N3O3/c1-11(2)16(21)20-15-8-7-13(10-18-15)19-17(22)12-5-4-6-14(9-12)23-3/h4-11H,1-3H3,(H,19,22)(H,18,20,21)
InChIKeyYPLSBDMOKAWKNV-UHFFFAOYSA-N
XLogP2.94
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Betrixaban
CID 10275777
4-iodo-N-(2-(4-(methoxyphenyl)-1-piperazinyl)ethyl)-N-2-pyridinylbenzamide
CID 4658
Mppf F-18
CID 449646
4-Fluoro-N-(2-(4-(2-methoxyphenyl)-1-piperazinyl)ethyl)-N-2-pyridinylbenzamide
CID 6603915
6-cyclopropyl-N-[4-methoxy-2-(methylcarbamoyl)phenyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
CID 58548303
4-Pyrimidinecarboxamide,2-amino-6-(3-methoxyphenyl)-n-(2-pyridinylmethyl)-
CID 44520951
4-Pyrimidinecarboxamide,2-amino-6-(3-methoxyphenyl)-n-[(3-methyl-2-pyridinyl)methyl]-
CID 44520964
6-(ethylcarbamoylamino)-4-[(4-methoxyphenyl)amino]-~{N}-pyridin-3-yl-pyridine-3-carboxamide
CID 89650975
4-methoxy-N-pyridin-2-ylbenzamide
CID 821599
3-methoxy-N-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]benzamide
CID 10783358
2-[3-[4-(2-methoxy-4-methylphenyl)piperazin-1-yl]propylamino]-N,N-dimethylpyridine-3-carboxamide
CID 11795906
(3-Methoxy-phenyl)-(4-pyridin-2-yl-piperazin-1-yl)-methanone
CID 790124

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[6-(2-methylpropanoylamino)-3-pyridinyl]benzamide?
The IUPAC name of 3-methoxy-N-[6-(2-methylpropanoylamino)-3-pyridinyl]benzamide (CID 652539) is 3-methoxy-N-[6-(2-methylpropanoylamino)-3-pyridinyl]benzamide.
What is the SMILES notation for 3-methoxy-N-[6-(2-methylpropanoylamino)-3-pyridinyl]benzamide?
The canonical SMILES for 3-methoxy-N-[6-(2-methylpropanoylamino)-3-pyridinyl]benzamide is COc1cccc(C(=O)Nc2ccc(NC(=O)C(C)C)nc2)c1.
What is the InChIKey of 3-methoxy-N-[6-(2-methylpropanoylamino)-3-pyridinyl]benzamide?
The InChIKey is YPLSBDMOKAWKNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O3/c1-11(2)16(21)20-15-8-7-13(10-18-15)19-17(22)12-5-4-6-14(9-12)23-3/h4-11H,1-3H3,(H,19,22)(H,18,20,21).
What are the key properties of 3-methoxy-N-[6-(2-methylpropanoylamino)-3-pyridinyl]benzamide?
3-methoxy-N-[6-(2-methylpropanoylamino)-3-pyridinyl]benzamide has a molecular weight of 313.36 g/mol, XLogP of 2.94, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[6-(2-methylpropanoylamino)-3-pyridinyl]benzamide is sourced from PubChem (CID 652539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).