N-[5-(2,2-dimethylpropanoylamino)-2-pyridinyl]-3-methoxybenzamide

C18H21N3O3 — CID 653989

IUPACN-[5-(2,2-dimethylpropanoylamino)-2-pyridinyl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)Nc2ccc(NC(=O)C(C)(C)C)cn2)c1
InChIInChI=1S/C18H21N3O3/c1-18(2,3)17(23)20-13-8-9-15(19-11-13)21-16(22)12-6-5-7-14(10-12)24-4/h5-11H,1-4H3,(H,20,23)(H,19,21,22)
InChIKeyXRSQBYGREWULDP-UHFFFAOYSA-N
MW327.38 g/mol
LogP3.33
Rot. Bonds4

About N-[5-(2,2-dimethylpropanoylamino)-2-pyridinyl]-3-methoxybenzamide

N-[5-(2,2-dimethylpropanoylamino)-2-pyridinyl]-3-methoxybenzamide (PubChem CID 653989) has the molecular formula C18H21N3O3 and a molecular weight of 327.38 g/mol. Its IUPAC name is N-[5-(2,2-dimethylpropanoylamino)-2-pyridinyl]-3-methoxybenzamide.

Molecular Properties

Compound NameN-[5-(2,2-dimethylpropanoylamino)-2-pyridinyl]-3-methoxybenzamide
PubChem CID653989
Molecular FormulaC18H21N3O3
Molecular Weight327.38 g/mol
Exact Mass327.16
IUPAC NameN-[5-(2,2-dimethylpropanoylamino)-2-pyridinyl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)Nc2ccc(NC(=O)C(C)(C)C)cn2)c1
InChIInChI=1S/C18H21N3O3/c1-18(2,3)17(23)20-13-8-9-15(19-11-13)21-16(22)12-6-5-7-14(10-12)24-4/h5-11H,1-4H3,(H,20,23)(H,19,21,22)
InChIKeyXRSQBYGREWULDP-UHFFFAOYSA-N
XLogP3.33
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[5-(2,2-dimethylpropanoylamino)-2-pyridinyl]-3-methoxybenzamide?
The IUPAC name of N-[5-(2,2-dimethylpropanoylamino)-2-pyridinyl]-3-methoxybenzamide (CID 653989) is N-[5-(2,2-dimethylpropanoylamino)-2-pyridinyl]-3-methoxybenzamide.
What is the SMILES notation for N-[5-(2,2-dimethylpropanoylamino)-2-pyridinyl]-3-methoxybenzamide?
The canonical SMILES for N-[5-(2,2-dimethylpropanoylamino)-2-pyridinyl]-3-methoxybenzamide is COc1cccc(C(=O)Nc2ccc(NC(=O)C(C)(C)C)cn2)c1.
What is the InChIKey of N-[5-(2,2-dimethylpropanoylamino)-2-pyridinyl]-3-methoxybenzamide?
The InChIKey is XRSQBYGREWULDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O3/c1-18(2,3)17(23)20-13-8-9-15(19-11-13)21-16(22)12-6-5-7-14(10-12)24-4/h5-11H,1-4H3,(H,20,23)(H,19,21,22).
What are the key properties of N-[5-(2,2-dimethylpropanoylamino)-2-pyridinyl]-3-methoxybenzamide?
N-[5-(2,2-dimethylpropanoylamino)-2-pyridinyl]-3-methoxybenzamide has a molecular weight of 327.38 g/mol, XLogP of 3.33, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2,2-dimethylpropanoylamino)-2-pyridinyl]-3-methoxybenzamide is sourced from PubChem (CID 653989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).