2-amino-5-chloro-N-(2-methylbutan-2-yl)pyridine-4-carboxamide

C11H16ClN3O — CID 114921690

IUPAC2-amino-5-chloro-N-(2-methylbutan-2-yl)pyridine-4-carboxamide
SMILESCCC(C)(C)NC(=O)c1cc(N)ncc1Cl
InChIInChI=1S/C11H16ClN3O/c1-4-11(2,3)15-10(16)7-5-9(13)14-6-8(7)12/h5-6H,4H2,1-3H3,(H2,13,14)(H,15,16)
InChIKeyOGCKTUGGCBEMKU-UHFFFAOYSA-N
MW241.72 g/mol
LogP2.24
Rot. Bonds3

About 2-amino-5-chloro-N-(2-methylbutan-2-yl)pyridine-4-carboxamide

2-amino-5-chloro-N-(2-methylbutan-2-yl)pyridine-4-carboxamide (PubChem CID 114921690) has the molecular formula C11H16ClN3O and a molecular weight of 241.72 g/mol. Its IUPAC name is 2-amino-5-chloro-N-(2-methylbutan-2-yl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-amino-5-chloro-N-(2-methylbutan-2-yl)pyridine-4-carboxamide
PubChem CID114921690
Molecular FormulaC11H16ClN3O
Molecular Weight241.72 g/mol
Exact Mass241.10
IUPAC Name2-amino-5-chloro-N-(2-methylbutan-2-yl)pyridine-4-carboxamide
SMILESCCC(C)(C)NC(=O)c1cc(N)ncc1Cl
InChIInChI=1S/C11H16ClN3O/c1-4-11(2,3)15-10(16)7-5-9(13)14-6-8(7)12/h5-6H,4H2,1-3H3,(H2,13,14)(H,15,16)
InChIKeyOGCKTUGGCBEMKU-UHFFFAOYSA-N
XLogP2.24
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.72
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-[2-(tert-butylamino)-2-oxoethyl]-5-chloropyridine-4-carboxamide
CID 114924235
2-amino-5-chloro-N-methylpyridine-4-carboxamide
CID 114921748
2-amino-N-butan-2-yl-5-chloropyridine-4-carboxamide
CID 114921730
4-amino-2-chloro-N-(2-methylbutan-2-yl)benzamide
CID 16771675
2-amino-5-chloro-N-(2-methylpropyl)pyridine-4-carboxamide
CID 114921737
2,5-dichloro-N-(2,4,4-trimethylpentan-2-yl)pyridine-4-carboxamide
CID 114917844
2-amino-5-chloro-N-octylpyridine-4-carboxamide
CID 114924255
2-amino-5-chloro-N-[2-(methylamino)-2-oxoethyl]pyridine-4-carboxamide
CID 114922239
5-chloro-2-(ethylamino)-N-(3-ethylpentan-3-yl)pyridine-4-carboxamide
CID 114923855
2-amino-5-chloro-N-(4-methylpentan-2-yl)pyridine-4-carboxamide
CID 114922209
2-amino-5-chloro-N-ethyl-N-(2-hydroxy-2-methylpropyl)pyridine-4-carboxamide
CID 114924026
2-amino-5-chloro-N-(4-propylphenyl)pyridine-4-carboxamide
CID 114922194

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-chloro-N-(2-methylbutan-2-yl)pyridine-4-carboxamide?
The IUPAC name of 2-amino-5-chloro-N-(2-methylbutan-2-yl)pyridine-4-carboxamide (CID 114921690) is 2-amino-5-chloro-N-(2-methylbutan-2-yl)pyridine-4-carboxamide.
What is the SMILES notation for 2-amino-5-chloro-N-(2-methylbutan-2-yl)pyridine-4-carboxamide?
The canonical SMILES for 2-amino-5-chloro-N-(2-methylbutan-2-yl)pyridine-4-carboxamide is CCC(C)(C)NC(=O)c1cc(N)ncc1Cl.
What is the InChIKey of 2-amino-5-chloro-N-(2-methylbutan-2-yl)pyridine-4-carboxamide?
The InChIKey is OGCKTUGGCBEMKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3O/c1-4-11(2,3)15-10(16)7-5-9(13)14-6-8(7)12/h5-6H,4H2,1-3H3,(H2,13,14)(H,15,16).
What are the key properties of 2-amino-5-chloro-N-(2-methylbutan-2-yl)pyridine-4-carboxamide?
2-amino-5-chloro-N-(2-methylbutan-2-yl)pyridine-4-carboxamide has a molecular weight of 241.72 g/mol, XLogP of 2.24, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-chloro-N-(2-methylbutan-2-yl)pyridine-4-carboxamide is sourced from PubChem (CID 114921690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).