N,N-bis(3-methylbutyl)-6-oxo-1H-pyridine-2-carboxamide

C16H26N2O2 — CID 107358851

IUPACN,N-bis(3-methylbutyl)-6-oxo-1H-pyridine-2-carboxamide
SMILESCC(C)CCN(CCC(C)C)C(=O)c1cccc(=O)[nH]1
InChIInChI=1S/C16H26N2O2/c1-12(2)8-10-18(11-9-13(3)4)16(20)14-6-5-7-15(19)17-14/h5-7,12-13H,8-11H2,1-4H3,(H,17,19)
InChIKeyMPVHXAXSDFWCMV-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.91
Rot. Bonds7

About N,N-bis(3-methylbutyl)-6-oxo-1H-pyridine-2-carboxamide

N,N-bis(3-methylbutyl)-6-oxo-1H-pyridine-2-carboxamide (PubChem CID 107358851) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is N,N-bis(3-methylbutyl)-6-oxo-1H-pyridine-2-carboxamide.

Molecular Properties

Compound NameN,N-bis(3-methylbutyl)-6-oxo-1H-pyridine-2-carboxamide
PubChem CID107358851
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC NameN,N-bis(3-methylbutyl)-6-oxo-1H-pyridine-2-carboxamide
SMILESCC(C)CCN(CCC(C)C)C(=O)c1cccc(=O)[nH]1
InChIInChI=1S/C16H26N2O2/c1-12(2)8-10-18(11-9-13(3)4)16(20)14-6-5-7-15(19)17-14/h5-7,12-13H,8-11H2,1-4H3,(H,17,19)
InChIKeyMPVHXAXSDFWCMV-UHFFFAOYSA-N
XLogP2.91
TPSA53.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,N-bis(3-methylbutyl)-6-oxo-1H-pyridine-2-carboxamide?
The IUPAC name of N,N-bis(3-methylbutyl)-6-oxo-1H-pyridine-2-carboxamide (CID 107358851) is N,N-bis(3-methylbutyl)-6-oxo-1H-pyridine-2-carboxamide.
What is the SMILES notation for N,N-bis(3-methylbutyl)-6-oxo-1H-pyridine-2-carboxamide?
The canonical SMILES for N,N-bis(3-methylbutyl)-6-oxo-1H-pyridine-2-carboxamide is CC(C)CCN(CCC(C)C)C(=O)c1cccc(=O)[nH]1.
What is the InChIKey of N,N-bis(3-methylbutyl)-6-oxo-1H-pyridine-2-carboxamide?
The InChIKey is MPVHXAXSDFWCMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-12(2)8-10-18(11-9-13(3)4)16(20)14-6-5-7-15(19)17-14/h5-7,12-13H,8-11H2,1-4H3,(H,17,19).
What are the key properties of N,N-bis(3-methylbutyl)-6-oxo-1H-pyridine-2-carboxamide?
N,N-bis(3-methylbutyl)-6-oxo-1H-pyridine-2-carboxamide has a molecular weight of 278.40 g/mol, XLogP of 2.91, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(3-methylbutyl)-6-oxo-1H-pyridine-2-carboxamide is sourced from PubChem (CID 107358851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).