benzoic acid;N-(3-ethyl-2-pyridinyl)formamide

C15H16N2O3 — CID 175520647

IUPACbenzoic acid;N-(3-ethyl-2-pyridinyl)formamide
SMILESCCc1cccnc1NC=O.O=C(O)c1ccccc1
InChIInChI=1S/C8H10N2O.C7H6O2/c1-2-7-4-3-5-9-8(7)10-6-11;8-7(9)6-4-2-1-3-5-6/h3-6H,2H2,1H3,(H,9,10,11);1-5H,(H,8,9)
InChIKeyCXRKMWPLSJNMRL-UHFFFAOYSA-N
MW272.30 g/mol
LogP2.60
Rot. Bonds4

About benzoic acid;N-(3-ethyl-2-pyridinyl)formamide

benzoic acid;N-(3-ethyl-2-pyridinyl)formamide (PubChem CID 175520647) has the molecular formula C15H16N2O3 and a molecular weight of 272.30 g/mol. Its IUPAC name is benzoic acid;N-(3-ethyl-2-pyridinyl)formamide.

Molecular Properties

Compound Namebenzoic acid;N-(3-ethyl-2-pyridinyl)formamide
PubChem CID175520647
Molecular FormulaC15H16N2O3
Molecular Weight272.30 g/mol
Exact Mass272.12
IUPAC Namebenzoic acid;N-(3-ethyl-2-pyridinyl)formamide
SMILESCCc1cccnc1NC=O.O=C(O)c1ccccc1
InChIInChI=1S/C8H10N2O.C7H6O2/c1-2-7-4-3-5-9-8(7)10-6-11;8-7(9)6-4-2-1-3-5-6/h3-6H,2H2,1H3,(H,9,10,11);1-5H,(H,8,9)
InChIKeyCXRKMWPLSJNMRL-UHFFFAOYSA-N
XLogP2.60
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

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CID 54137252
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Frequently Asked Questions

What is the IUPAC name of benzoic acid;N-(3-ethyl-2-pyridinyl)formamide?
The IUPAC name of benzoic acid;N-(3-ethyl-2-pyridinyl)formamide (CID 175520647) is benzoic acid;N-(3-ethyl-2-pyridinyl)formamide.
What is the SMILES notation for benzoic acid;N-(3-ethyl-2-pyridinyl)formamide?
The canonical SMILES for benzoic acid;N-(3-ethyl-2-pyridinyl)formamide is CCc1cccnc1NC=O.O=C(O)c1ccccc1.
What is the InChIKey of benzoic acid;N-(3-ethyl-2-pyridinyl)formamide?
The InChIKey is CXRKMWPLSJNMRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O.C7H6O2/c1-2-7-4-3-5-9-8(7)10-6-11;8-7(9)6-4-2-1-3-5-6/h3-6H,2H2,1H3,(H,9,10,11);1-5H,(H,8,9).
What are the key properties of benzoic acid;N-(3-ethyl-2-pyridinyl)formamide?
benzoic acid;N-(3-ethyl-2-pyridinyl)formamide has a molecular weight of 272.30 g/mol, XLogP of 2.60, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzoic acid;N-(3-ethyl-2-pyridinyl)formamide is sourced from PubChem (CID 175520647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).