N-[3-(tert-butylamino)-3-oxopropyl]-6-oxo-1H-pyridine-3-carboxamide

C13H19N3O3 — CID 115609109

IUPACN-[3-(tert-butylamino)-3-oxopropyl]-6-oxo-1H-pyridine-3-carboxamide
SMILESCC(C)(C)NC(=O)CCNC(=O)c1ccc(=O)[nH]c1
InChIInChI=1S/C13H19N3O3/c1-13(2,3)16-11(18)6-7-14-12(19)9-4-5-10(17)15-8-9/h4-5,8H,6-7H2,1-3H3,(H,14,19)(H,15,17)(H,16,18)
InChIKeyQYESGELZDNCVDS-UHFFFAOYSA-N
MW265.31 g/mol
LogP0.41
Rot. Bonds4

About N-[3-(tert-butylamino)-3-oxopropyl]-6-oxo-1H-pyridine-3-carboxamide

N-[3-(tert-butylamino)-3-oxopropyl]-6-oxo-1H-pyridine-3-carboxamide (PubChem CID 115609109) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is N-[3-(tert-butylamino)-3-oxopropyl]-6-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3-(tert-butylamino)-3-oxopropyl]-6-oxo-1H-pyridine-3-carboxamide
PubChem CID115609109
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC NameN-[3-(tert-butylamino)-3-oxopropyl]-6-oxo-1H-pyridine-3-carboxamide
SMILESCC(C)(C)NC(=O)CCNC(=O)c1ccc(=O)[nH]c1
InChIInChI=1S/C13H19N3O3/c1-13(2,3)16-11(18)6-7-14-12(19)9-4-5-10(17)15-8-9/h4-5,8H,6-7H2,1-3H3,(H,14,19)(H,15,17)(H,16,18)
InChIKeyQYESGELZDNCVDS-UHFFFAOYSA-N
XLogP0.41
TPSA91.06 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 50.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(tert-butylamino)-3-oxopropyl]-4-fluorobenzamide
CID 47365751
N-(2-hydroxyethyl)-6-oxo-1H-pyridine-3-carboxamide
CID 43389064
N-(4-amino-4-oxobutyl)-6-oxo-1H-pyridine-3-carboxamide
CID 47189186
N-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-6-oxo-1H-pyridine-3-carboxamide
CID 110626385
N-[3-(tert-butylamino)-3-oxopropyl]-3-methylbenzamide
CID 17191330
6-oxo-N-(2-phenylethyl)-1H-pyridine-3-carboxamide
CID 2090847
N-(2-ethoxy-2-methylpropyl)-6-oxo-1H-pyridine-3-carboxamide
CID 114942665
N-(4-bromopentyl)-6-oxo-1H-pyridine-3-carboxamide
CID 106130808
N-(3-methylsulfanylbutyl)-6-oxo-1H-pyridine-3-carboxamide
CID 115604124
N-[2-(1-methylpyrazol-3-yl)ethyl]-6-oxo-1H-pyridine-3-carboxamide
CID 113434600
6-oxo-1H-pyridine-3-carbohydrazide
CID 11051863
N-[2-[2-methoxyethyl(methyl)amino]ethyl]-6-oxo-1H-pyridine-3-carboxamide
CID 62850274

Frequently Asked Questions

What is the IUPAC name of N-[3-(tert-butylamino)-3-oxopropyl]-6-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-[3-(tert-butylamino)-3-oxopropyl]-6-oxo-1H-pyridine-3-carboxamide (CID 115609109) is N-[3-(tert-butylamino)-3-oxopropyl]-6-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-[3-(tert-butylamino)-3-oxopropyl]-6-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-[3-(tert-butylamino)-3-oxopropyl]-6-oxo-1H-pyridine-3-carboxamide is CC(C)(C)NC(=O)CCNC(=O)c1ccc(=O)[nH]c1.
What is the InChIKey of N-[3-(tert-butylamino)-3-oxopropyl]-6-oxo-1H-pyridine-3-carboxamide?
The InChIKey is QYESGELZDNCVDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-13(2,3)16-11(18)6-7-14-12(19)9-4-5-10(17)15-8-9/h4-5,8H,6-7H2,1-3H3,(H,14,19)(H,15,17)(H,16,18).
What are the key properties of N-[3-(tert-butylamino)-3-oxopropyl]-6-oxo-1H-pyridine-3-carboxamide?
N-[3-(tert-butylamino)-3-oxopropyl]-6-oxo-1H-pyridine-3-carboxamide has a molecular weight of 265.31 g/mol, XLogP of 0.41, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(tert-butylamino)-3-oxopropyl]-6-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 115609109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).