N-tert-butyl-5-chloro-2-oxo-1H-pyridine-3-carboxamide

C10H13ClN2O2 — CID 110855396

IUPACN-tert-butyl-5-chloro-2-oxo-1H-pyridine-3-carboxamide
SMILESCC(C)(C)NC(=O)c1cc(Cl)c[nH]c1=O
InChIInChI=1S/C10H13ClN2O2/c1-10(2,3)13-9(15)7-4-6(11)5-12-8(7)14/h4-5H,1-3H3,(H,12,14)(H,13,15)
InChIKeyRDNDOKHJWAKVJC-UHFFFAOYSA-N
MW228.68 g/mol
LogP1.56
Rot. Bonds1

About N-tert-butyl-5-chloro-2-oxo-1H-pyridine-3-carboxamide

N-tert-butyl-5-chloro-2-oxo-1H-pyridine-3-carboxamide (PubChem CID 110855396) has the molecular formula C10H13ClN2O2 and a molecular weight of 228.68 g/mol. Its IUPAC name is N-tert-butyl-5-chloro-2-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-5-chloro-2-oxo-1H-pyridine-3-carboxamide
PubChem CID110855396
Molecular FormulaC10H13ClN2O2
Molecular Weight228.68 g/mol
Exact Mass228.07
IUPAC NameN-tert-butyl-5-chloro-2-oxo-1H-pyridine-3-carboxamide
SMILESCC(C)(C)NC(=O)c1cc(Cl)c[nH]c1=O
InChIInChI=1S/C10H13ClN2O2/c1-10(2,3)13-9(15)7-4-6(11)5-12-8(7)14/h4-5H,1-3H3,(H,12,14)(H,13,15)
InChIKeyRDNDOKHJWAKVJC-UHFFFAOYSA-N
XLogP1.56
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.68
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-chloro-2-oxo-1H-pyridine-3-carbonyl chloride
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3-[(1R)-1-amino-2,2-dimethylpropyl]-5-chloro-1H-pyridin-2-one
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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-5-chloro-2-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-tert-butyl-5-chloro-2-oxo-1H-pyridine-3-carboxamide (CID 110855396) is N-tert-butyl-5-chloro-2-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-tert-butyl-5-chloro-2-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-tert-butyl-5-chloro-2-oxo-1H-pyridine-3-carboxamide is CC(C)(C)NC(=O)c1cc(Cl)c[nH]c1=O.
What is the InChIKey of N-tert-butyl-5-chloro-2-oxo-1H-pyridine-3-carboxamide?
The InChIKey is RDNDOKHJWAKVJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN2O2/c1-10(2,3)13-9(15)7-4-6(11)5-12-8(7)14/h4-5H,1-3H3,(H,12,14)(H,13,15).
What are the key properties of N-tert-butyl-5-chloro-2-oxo-1H-pyridine-3-carboxamide?
N-tert-butyl-5-chloro-2-oxo-1H-pyridine-3-carboxamide has a molecular weight of 228.68 g/mol, XLogP of 1.56, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-5-chloro-2-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 110855396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).