2-chloro-N-[2-oxo-2-(propan-2-ylamino)ethyl]pyridine-4-carboxamide

C11H14ClN3O2 — CID 35371155

IUPAC2-chloro-N-[2-oxo-2-(propan-2-ylamino)ethyl]pyridine-4-carboxamide
SMILESCC(C)NC(=O)CNC(=O)c1ccnc(Cl)c1
InChIInChI=1S/C11H14ClN3O2/c1-7(2)15-10(16)6-14-11(17)8-3-4-13-9(12)5-8/h3-5,7H,6H2,1-2H3,(H,14,17)(H,15,16)
InChIKeyRCMDCQCVJFSGGH-UHFFFAOYSA-N
MW255.70 g/mol
LogP0.99
Rot. Bonds4

About 2-chloro-N-[2-oxo-2-(propan-2-ylamino)ethyl]pyridine-4-carboxamide

2-chloro-N-[2-oxo-2-(propan-2-ylamino)ethyl]pyridine-4-carboxamide (PubChem CID 35371155) has the molecular formula C11H14ClN3O2 and a molecular weight of 255.70 g/mol. Its IUPAC name is 2-chloro-N-[2-oxo-2-(propan-2-ylamino)ethyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-chloro-N-[2-oxo-2-(propan-2-ylamino)ethyl]pyridine-4-carboxamide
PubChem CID35371155
Molecular FormulaC11H14ClN3O2
Molecular Weight255.70 g/mol
Exact Mass255.08
IUPAC Name2-chloro-N-[2-oxo-2-(propan-2-ylamino)ethyl]pyridine-4-carboxamide
SMILESCC(C)NC(=O)CNC(=O)c1ccnc(Cl)c1
InChIInChI=1S/C11H14ClN3O2/c1-7(2)15-10(16)6-14-11(17)8-3-4-13-9(12)5-8/h3-5,7H,6H2,1-2H3,(H,14,17)(H,15,16)
InChIKeyRCMDCQCVJFSGGH-UHFFFAOYSA-N
XLogP0.99
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.70
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N-(1-hydroxypropan-2-yl)pyridine-4-carboxamide
CID 60747484
N-[3-(butan-2-ylamino)-3-oxopropyl]-2-chloropyridine-4-carboxamide
CID 61053305
2-chloro-N-(2-hydroxy-2,3-dimethylbutyl)pyridine-4-carboxamide
CID 111483981
2-chloro-N-(3-methylsulfanylbutyl)pyridine-4-carboxamide
CID 115604079
2-chloro-6-hydrazinyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]pyridine-4-carboxamide
CID 55052122
2-chloro-N-(2-phenylpropyl)pyridine-4-carboxamide
CID 46520684
4-[(2-chloropyridine-4-carbonyl)amino]pentanoic acid
CID 103932808
ethyl 2-[(2-chloropyridine-4-carbonyl)amino]propanoate
CID 47368209
2-chloro-N-heptan-2-ylpyridine-4-carboxamide
CID 60716706
2-chloro-N-(1-pyrrolidin-1-ylpropan-2-yl)pyridine-4-carboxamide
CID 61217354
3-hydroxy-N-[2-oxo-2-(propan-2-ylamino)ethyl]pyridine-2-carboxamide
CID 54861412
2-[(2-chloropyridine-4-carbonyl)amino]butanoic acid
CID 45122335

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-oxo-2-(propan-2-ylamino)ethyl]pyridine-4-carboxamide?
The IUPAC name of 2-chloro-N-[2-oxo-2-(propan-2-ylamino)ethyl]pyridine-4-carboxamide (CID 35371155) is 2-chloro-N-[2-oxo-2-(propan-2-ylamino)ethyl]pyridine-4-carboxamide.
What is the SMILES notation for 2-chloro-N-[2-oxo-2-(propan-2-ylamino)ethyl]pyridine-4-carboxamide?
The canonical SMILES for 2-chloro-N-[2-oxo-2-(propan-2-ylamino)ethyl]pyridine-4-carboxamide is CC(C)NC(=O)CNC(=O)c1ccnc(Cl)c1.
What is the InChIKey of 2-chloro-N-[2-oxo-2-(propan-2-ylamino)ethyl]pyridine-4-carboxamide?
The InChIKey is RCMDCQCVJFSGGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN3O2/c1-7(2)15-10(16)6-14-11(17)8-3-4-13-9(12)5-8/h3-5,7H,6H2,1-2H3,(H,14,17)(H,15,16).
What are the key properties of 2-chloro-N-[2-oxo-2-(propan-2-ylamino)ethyl]pyridine-4-carboxamide?
2-chloro-N-[2-oxo-2-(propan-2-ylamino)ethyl]pyridine-4-carboxamide has a molecular weight of 255.70 g/mol, XLogP of 0.99, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-oxo-2-(propan-2-ylamino)ethyl]pyridine-4-carboxamide is sourced from PubChem (CID 35371155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).