N-benzyl-6-oxo-N-propyl-1H-pyridine-2-carboxamide

C16H18N2O2 — CID 107261621

IUPACN-benzyl-6-oxo-N-propyl-1H-pyridine-2-carboxamide
SMILESCCCN(Cc1ccccc1)C(=O)c1cccc(=O)[nH]1
InChIInChI=1S/C16H18N2O2/c1-2-11-18(12-13-7-4-3-5-8-13)16(20)14-9-6-10-15(19)17-14/h3-10H,2,11-12H2,1H3,(H,17,19)
InChIKeyPKVYGYGRZXNHQD-UHFFFAOYSA-N
MW270.33 g/mol
LogP2.43
Rot. Bonds5

About N-benzyl-6-oxo-N-propyl-1H-pyridine-2-carboxamide

N-benzyl-6-oxo-N-propyl-1H-pyridine-2-carboxamide (PubChem CID 107261621) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is N-benzyl-6-oxo-N-propyl-1H-pyridine-2-carboxamide.

Molecular Properties

Compound NameN-benzyl-6-oxo-N-propyl-1H-pyridine-2-carboxamide
PubChem CID107261621
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC NameN-benzyl-6-oxo-N-propyl-1H-pyridine-2-carboxamide
SMILESCCCN(Cc1ccccc1)C(=O)c1cccc(=O)[nH]1
InChIInChI=1S/C16H18N2O2/c1-2-11-18(12-13-7-4-3-5-8-13)16(20)14-9-6-10-15(19)17-14/h3-10H,2,11-12H2,1H3,(H,17,19)
InChIKeyPKVYGYGRZXNHQD-UHFFFAOYSA-N
XLogP2.43
TPSA53.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-6-oxo-N-propyl-1H-pyridine-2-carboxamide?
The IUPAC name of N-benzyl-6-oxo-N-propyl-1H-pyridine-2-carboxamide (CID 107261621) is N-benzyl-6-oxo-N-propyl-1H-pyridine-2-carboxamide.
What is the SMILES notation for N-benzyl-6-oxo-N-propyl-1H-pyridine-2-carboxamide?
The canonical SMILES for N-benzyl-6-oxo-N-propyl-1H-pyridine-2-carboxamide is CCCN(Cc1ccccc1)C(=O)c1cccc(=O)[nH]1.
What is the InChIKey of N-benzyl-6-oxo-N-propyl-1H-pyridine-2-carboxamide?
The InChIKey is PKVYGYGRZXNHQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2/c1-2-11-18(12-13-7-4-3-5-8-13)16(20)14-9-6-10-15(19)17-14/h3-10H,2,11-12H2,1H3,(H,17,19).
What are the key properties of N-benzyl-6-oxo-N-propyl-1H-pyridine-2-carboxamide?
N-benzyl-6-oxo-N-propyl-1H-pyridine-2-carboxamide has a molecular weight of 270.33 g/mol, XLogP of 2.43, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-6-oxo-N-propyl-1H-pyridine-2-carboxamide is sourced from PubChem (CID 107261621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).