N-[1-(cyclopentylamino)-2-methyl-1-oxobutan-2-yl]-N-methyl-6-oxo-1H-pyridine-3-carboxamide

C17H25N3O3 — CID 4601093

IUPACN-[1-(cyclopentylamino)-2-methyl-1-oxobutan-2-yl]-N-methyl-6-oxo-1H-pyridine-3-carboxamide
SMILESCCC(C)(C(=O)NC1CCCC1)N(C)C(=O)c1ccc(=O)[nH]c1
InChIInChI=1S/C17H25N3O3/c1-4-17(2,16(23)19-13-7-5-6-8-13)20(3)15(22)12-9-10-14(21)18-11-12/h9-11,13H,4-8H2,1-3H3,(H,18,21)(H,19,23)
InChIKeyZNBMPUZCBGSNJU-UHFFFAOYSA-N
MW319.41 g/mol
LogP1.67
Rot. Bonds5

About N-[1-(cyclopentylamino)-2-methyl-1-oxobutan-2-yl]-N-methyl-6-oxo-1H-pyridine-3-carboxamide

N-[1-(cyclopentylamino)-2-methyl-1-oxobutan-2-yl]-N-methyl-6-oxo-1H-pyridine-3-carboxamide (PubChem CID 4601093) has the molecular formula C17H25N3O3 and a molecular weight of 319.41 g/mol. Its IUPAC name is N-[1-(cyclopentylamino)-2-methyl-1-oxobutan-2-yl]-N-methyl-6-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[1-(cyclopentylamino)-2-methyl-1-oxobutan-2-yl]-N-methyl-6-oxo-1H-pyridine-3-carboxamide
PubChem CID4601093
Molecular FormulaC17H25N3O3
Molecular Weight319.41 g/mol
Exact Mass319.19
IUPAC NameN-[1-(cyclopentylamino)-2-methyl-1-oxobutan-2-yl]-N-methyl-6-oxo-1H-pyridine-3-carboxamide
SMILESCCC(C)(C(=O)NC1CCCC1)N(C)C(=O)c1ccc(=O)[nH]c1
InChIInChI=1S/C17H25N3O3/c1-4-17(2,16(23)19-13-7-5-6-8-13)20(3)15(22)12-9-10-14(21)18-11-12/h9-11,13H,4-8H2,1-3H3,(H,18,21)(H,19,23)
InChIKeyZNBMPUZCBGSNJU-UHFFFAOYSA-N
XLogP1.67
TPSA82.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(cyclopentylamino)-2-methyl-1-oxobutan-2-yl]-N-methyl-6-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-[1-(cyclopentylamino)-2-methyl-1-oxobutan-2-yl]-N-methyl-6-oxo-1H-pyridine-3-carboxamide (CID 4601093) is N-[1-(cyclopentylamino)-2-methyl-1-oxobutan-2-yl]-N-methyl-6-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-[1-(cyclopentylamino)-2-methyl-1-oxobutan-2-yl]-N-methyl-6-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-[1-(cyclopentylamino)-2-methyl-1-oxobutan-2-yl]-N-methyl-6-oxo-1H-pyridine-3-carboxamide is CCC(C)(C(=O)NC1CCCC1)N(C)C(=O)c1ccc(=O)[nH]c1.
What is the InChIKey of N-[1-(cyclopentylamino)-2-methyl-1-oxobutan-2-yl]-N-methyl-6-oxo-1H-pyridine-3-carboxamide?
The InChIKey is ZNBMPUZCBGSNJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O3/c1-4-17(2,16(23)19-13-7-5-6-8-13)20(3)15(22)12-9-10-14(21)18-11-12/h9-11,13H,4-8H2,1-3H3,(H,18,21)(H,19,23).
What are the key properties of N-[1-(cyclopentylamino)-2-methyl-1-oxobutan-2-yl]-N-methyl-6-oxo-1H-pyridine-3-carboxamide?
N-[1-(cyclopentylamino)-2-methyl-1-oxobutan-2-yl]-N-methyl-6-oxo-1H-pyridine-3-carboxamide has a molecular weight of 319.41 g/mol, XLogP of 1.67, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(cyclopentylamino)-2-methyl-1-oxobutan-2-yl]-N-methyl-6-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 4601093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).