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

C16H23N3O3 — CID 4076919

IUPACN-[1-(cyclopentylamino)-2-methyl-1-oxobutan-2-yl]-6-oxo-1H-pyridine-3-carboxamide
SMILESCCC(C)(NC(=O)c1ccc(=O)[nH]c1)C(=O)NC1CCCC1
InChIInChI=1S/C16H23N3O3/c1-3-16(2,15(22)18-12-6-4-5-7-12)19-14(21)11-8-9-13(20)17-10-11/h8-10,12H,3-7H2,1-2H3,(H,17,20)(H,18,22)(H,19,21)
InChIKeyGYOWIBCWJNGXIE-UHFFFAOYSA-N
MW305.38 g/mol
LogP1.33
Rot. Bonds5

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

N-[1-(cyclopentylamino)-2-methyl-1-oxobutan-2-yl]-6-oxo-1H-pyridine-3-carboxamide (PubChem CID 4076919) has the molecular formula C16H23N3O3 and a molecular weight of 305.38 g/mol. Its IUPAC name is N-[1-(cyclopentylamino)-2-methyl-1-oxobutan-2-yl]-6-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[1-(cyclopentylamino)-2-methyl-1-oxobutan-2-yl]-6-oxo-1H-pyridine-3-carboxamide
PubChem CID4076919
Molecular FormulaC16H23N3O3
Molecular Weight305.38 g/mol
Exact Mass305.17
IUPAC NameN-[1-(cyclopentylamino)-2-methyl-1-oxobutan-2-yl]-6-oxo-1H-pyridine-3-carboxamide
SMILESCCC(C)(NC(=O)c1ccc(=O)[nH]c1)C(=O)NC1CCCC1
InChIInChI=1S/C16H23N3O3/c1-3-16(2,15(22)18-12-6-4-5-7-12)19-14(21)11-8-9-13(20)17-10-11/h8-10,12H,3-7H2,1-2H3,(H,17,20)(H,18,22)(H,19,21)
InChIKeyGYOWIBCWJNGXIE-UHFFFAOYSA-N
XLogP1.33
TPSA91.06 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 51.33
H-Bond Donors ≤ 53
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]-6-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-[1-(cyclopentylamino)-2-methyl-1-oxobutan-2-yl]-6-oxo-1H-pyridine-3-carboxamide (CID 4076919) is N-[1-(cyclopentylamino)-2-methyl-1-oxobutan-2-yl]-6-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-[1-(cyclopentylamino)-2-methyl-1-oxobutan-2-yl]-6-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-[1-(cyclopentylamino)-2-methyl-1-oxobutan-2-yl]-6-oxo-1H-pyridine-3-carboxamide is CCC(C)(NC(=O)c1ccc(=O)[nH]c1)C(=O)NC1CCCC1.
What is the InChIKey of N-[1-(cyclopentylamino)-2-methyl-1-oxobutan-2-yl]-6-oxo-1H-pyridine-3-carboxamide?
The InChIKey is GYOWIBCWJNGXIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O3/c1-3-16(2,15(22)18-12-6-4-5-7-12)19-14(21)11-8-9-13(20)17-10-11/h8-10,12H,3-7H2,1-2H3,(H,17,20)(H,18,22)(H,19,21).
What are the key properties of N-[1-(cyclopentylamino)-2-methyl-1-oxobutan-2-yl]-6-oxo-1H-pyridine-3-carboxamide?
N-[1-(cyclopentylamino)-2-methyl-1-oxobutan-2-yl]-6-oxo-1H-pyridine-3-carboxamide has a molecular weight of 305.38 g/mol, XLogP of 1.33, 5 rotatable bonds, 3 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]-6-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 4076919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).