2-phenylacetamide;3-phenylpropanamide;pyridine-3-carboxamide

C23H26N4O3 — CID 69392633

IUPAC2-phenylacetamide;3-phenylpropanamide;pyridine-3-carboxamide
SMILESNC(=O)CCc1ccccc1.NC(=O)Cc1ccccc1.NC(=O)c1cccnc1
InChIInChI=1S/C9H11NO.C8H9NO.C6H6N2O/c10-9(11)7-6-8-4-2-1-3-5-8;9-8(10)6-7-4-2-1-3-5-7;7-6(9)5-2-1-3-8-4-5/h1-5H,6-7H2,(H2,10,11);1-5H,6H2,(H2,9,10);1-4H,(H2,7,9)
InChIKeyBTLDNAGJBPGIJI-UHFFFAOYSA-N
MW406.49 g/mol
LogP2.00
Rot. Bonds6

About 2-phenylacetamide;3-phenylpropanamide;pyridine-3-carboxamide

2-phenylacetamide;3-phenylpropanamide;pyridine-3-carboxamide (PubChem CID 69392633) has the molecular formula C23H26N4O3 and a molecular weight of 406.49 g/mol. Its IUPAC name is 2-phenylacetamide;3-phenylpropanamide;pyridine-3-carboxamide.

Molecular Properties

Compound Name2-phenylacetamide;3-phenylpropanamide;pyridine-3-carboxamide
PubChem CID69392633
Molecular FormulaC23H26N4O3
Molecular Weight406.49 g/mol
Exact Mass406.20
IUPAC Name2-phenylacetamide;3-phenylpropanamide;pyridine-3-carboxamide
SMILESNC(=O)CCc1ccccc1.NC(=O)Cc1ccccc1.NC(=O)c1cccnc1
InChIInChI=1S/C9H11NO.C8H9NO.C6H6N2O/c10-9(11)7-6-8-4-2-1-3-5-8;9-8(10)6-7-4-2-1-3-5-7;7-6(9)5-2-1-3-8-4-5/h1-5H,6-7H2,(H2,10,11);1-5H,6H2,(H2,9,10);1-4H,(H2,7,9)
InChIKeyBTLDNAGJBPGIJI-UHFFFAOYSA-N
XLogP2.00
TPSA142.16 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.49
LogP ≤ 52.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-phenylacetamide;3-phenylpropanamide;pyridine-3-carboxamide?
The IUPAC name of 2-phenylacetamide;3-phenylpropanamide;pyridine-3-carboxamide (CID 69392633) is 2-phenylacetamide;3-phenylpropanamide;pyridine-3-carboxamide.
What is the SMILES notation for 2-phenylacetamide;3-phenylpropanamide;pyridine-3-carboxamide?
The canonical SMILES for 2-phenylacetamide;3-phenylpropanamide;pyridine-3-carboxamide is NC(=O)CCc1ccccc1.NC(=O)Cc1ccccc1.NC(=O)c1cccnc1.
What is the InChIKey of 2-phenylacetamide;3-phenylpropanamide;pyridine-3-carboxamide?
The InChIKey is BTLDNAGJBPGIJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO.C8H9NO.C6H6N2O/c10-9(11)7-6-8-4-2-1-3-5-8;9-8(10)6-7-4-2-1-3-5-7;7-6(9)5-2-1-3-8-4-5/h1-5H,6-7H2,(H2,10,11);1-5H,6H2,(H2,9,10);1-4H,(H2,7,9).
What are the key properties of 2-phenylacetamide;3-phenylpropanamide;pyridine-3-carboxamide?
2-phenylacetamide;3-phenylpropanamide;pyridine-3-carboxamide has a molecular weight of 406.49 g/mol, XLogP of 2.00, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenylacetamide;3-phenylpropanamide;pyridine-3-carboxamide is sourced from PubChem (CID 69392633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).