4-methoxy-N-[5-[(2-phenylacetyl)amino]-2-pyridinyl]benzamide

C21H19N3O3 — CID 1452908

IUPAC4-methoxy-N-[5-[(2-phenylacetyl)amino]-2-pyridinyl]benzamide
SMILESCOc1ccc(C(=O)Nc2ccc(NC(=O)Cc3ccccc3)cn2)cc1
InChIInChI=1S/C21H19N3O3/c1-27-18-10-7-16(8-11-18)21(26)24-19-12-9-17(14-22-19)23-20(25)13-15-5-3-2-4-6-15/h2-12,14H,13H2,1H3,(H,23,25)(H,22,24,26)
InChIKeyHKRZTTOJSUEJHG-UHFFFAOYSA-N
MW361.40 g/mol
LogP3.52
Rot. Bonds6

About 4-methoxy-N-[5-[(2-phenylacetyl)amino]-2-pyridinyl]benzamide

4-methoxy-N-[5-[(2-phenylacetyl)amino]-2-pyridinyl]benzamide (PubChem CID 1452908) has the molecular formula C21H19N3O3 and a molecular weight of 361.40 g/mol. Its IUPAC name is 4-methoxy-N-[5-[(2-phenylacetyl)amino]-2-pyridinyl]benzamide.

Molecular Properties

Compound Name4-methoxy-N-[5-[(2-phenylacetyl)amino]-2-pyridinyl]benzamide
PubChem CID1452908
Molecular FormulaC21H19N3O3
Molecular Weight361.40 g/mol
Exact Mass361.14
IUPAC Name4-methoxy-N-[5-[(2-phenylacetyl)amino]-2-pyridinyl]benzamide
SMILESCOc1ccc(C(=O)Nc2ccc(NC(=O)Cc3ccccc3)cn2)cc1
InChIInChI=1S/C21H19N3O3/c1-27-18-10-7-16(8-11-18)21(26)24-19-12-9-17(14-22-19)23-20(25)13-15-5-3-2-4-6-15/h2-12,14H,13H2,1H3,(H,23,25)(H,22,24,26)
InChIKeyHKRZTTOJSUEJHG-UHFFFAOYSA-N
XLogP3.52
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.40
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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4-iodo-N-(2-(4-(methoxyphenyl)-1-piperazinyl)ethyl)-N-2-pyridinylbenzamide
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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[5-[(2-phenylacetyl)amino]-2-pyridinyl]benzamide?
The IUPAC name of 4-methoxy-N-[5-[(2-phenylacetyl)amino]-2-pyridinyl]benzamide (CID 1452908) is 4-methoxy-N-[5-[(2-phenylacetyl)amino]-2-pyridinyl]benzamide.
What is the SMILES notation for 4-methoxy-N-[5-[(2-phenylacetyl)amino]-2-pyridinyl]benzamide?
The canonical SMILES for 4-methoxy-N-[5-[(2-phenylacetyl)amino]-2-pyridinyl]benzamide is COc1ccc(C(=O)Nc2ccc(NC(=O)Cc3ccccc3)cn2)cc1.
What is the InChIKey of 4-methoxy-N-[5-[(2-phenylacetyl)amino]-2-pyridinyl]benzamide?
The InChIKey is HKRZTTOJSUEJHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O3/c1-27-18-10-7-16(8-11-18)21(26)24-19-12-9-17(14-22-19)23-20(25)13-15-5-3-2-4-6-15/h2-12,14H,13H2,1H3,(H,23,25)(H,22,24,26).
What are the key properties of 4-methoxy-N-[5-[(2-phenylacetyl)amino]-2-pyridinyl]benzamide?
4-methoxy-N-[5-[(2-phenylacetyl)amino]-2-pyridinyl]benzamide has a molecular weight of 361.40 g/mol, XLogP of 3.52, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[5-[(2-phenylacetyl)amino]-2-pyridinyl]benzamide is sourced from PubChem (CID 1452908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).