2-amino-N-butan-2-yl-5-chloropyridine-4-carboxamide

C10H14ClN3O — CID 114921730

IUPAC2-amino-N-butan-2-yl-5-chloropyridine-4-carboxamide
SMILESCCC(C)NC(=O)c1cc(N)ncc1Cl
InChIInChI=1S/C10H14ClN3O/c1-3-6(2)14-10(15)7-4-9(12)13-5-8(7)11/h4-6H,3H2,1-2H3,(H2,12,13)(H,14,15)
InChIKeyOOCGEJBWJYFOMU-UHFFFAOYSA-N
MW227.69 g/mol
LogP1.85
Rot. Bonds3

About 2-amino-N-butan-2-yl-5-chloropyridine-4-carboxamide

2-amino-N-butan-2-yl-5-chloropyridine-4-carboxamide (PubChem CID 114921730) has the molecular formula C10H14ClN3O and a molecular weight of 227.69 g/mol. Its IUPAC name is 2-amino-N-butan-2-yl-5-chloropyridine-4-carboxamide.

Molecular Properties

Compound Name2-amino-N-butan-2-yl-5-chloropyridine-4-carboxamide
PubChem CID114921730
Molecular FormulaC10H14ClN3O
Molecular Weight227.69 g/mol
Exact Mass227.08
IUPAC Name2-amino-N-butan-2-yl-5-chloropyridine-4-carboxamide
SMILESCCC(C)NC(=O)c1cc(N)ncc1Cl
InChIInChI=1S/C10H14ClN3O/c1-3-6(2)14-10(15)7-4-9(12)13-5-8(7)11/h4-6H,3H2,1-2H3,(H2,12,13)(H,14,15)
InChIKeyOOCGEJBWJYFOMU-UHFFFAOYSA-N
XLogP1.85
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.69
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-5-chloro-N-(4-methylpentan-2-yl)pyridine-4-carboxamide
CID 114922209
2-amino-5-chloro-N-(4-ethylsulfanylbutan-2-yl)pyridine-4-carboxamide
CID 114924724
2-amino-5-chloro-N-(1-methylsulfonylpropan-2-yl)pyridine-4-carboxamide
CID 114923822
2-amino-5-chloro-N-(4-methylsulfinylbutan-2-yl)pyridine-4-carboxamide
CID 114924604
2-amino-5-chloro-N-(2-methylpropyl)pyridine-4-carboxamide
CID 114921737
2-amino-5-chloro-N-(1-thiophen-3-ylpropan-2-yl)pyridine-4-carboxamide
CID 114923012
2-amino-5-chloro-N-[1-(2-methylpropylamino)-1-oxopropan-2-yl]pyridine-4-carboxamide
CID 114924418
2-amino-5-chloro-N-methylpyridine-4-carboxamide
CID 114921748
2-amino-5-chloro-N-(1-methoxypentan-2-yl)pyridine-4-carboxamide
CID 114923757
2-amino-5-chloro-N-(2-methylbutan-2-yl)pyridine-4-carboxamide
CID 114921690
2-amino-5-chloro-N-[1-(5-chlorothiophen-2-yl)ethyl]pyridine-4-carboxamide
CID 114922653
2-amino-5-chloro-N-octylpyridine-4-carboxamide
CID 114924255

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-butan-2-yl-5-chloropyridine-4-carboxamide?
The IUPAC name of 2-amino-N-butan-2-yl-5-chloropyridine-4-carboxamide (CID 114921730) is 2-amino-N-butan-2-yl-5-chloropyridine-4-carboxamide.
What is the SMILES notation for 2-amino-N-butan-2-yl-5-chloropyridine-4-carboxamide?
The canonical SMILES for 2-amino-N-butan-2-yl-5-chloropyridine-4-carboxamide is CCC(C)NC(=O)c1cc(N)ncc1Cl.
What is the InChIKey of 2-amino-N-butan-2-yl-5-chloropyridine-4-carboxamide?
The InChIKey is OOCGEJBWJYFOMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN3O/c1-3-6(2)14-10(15)7-4-9(12)13-5-8(7)11/h4-6H,3H2,1-2H3,(H2,12,13)(H,14,15).
What are the key properties of 2-amino-N-butan-2-yl-5-chloropyridine-4-carboxamide?
2-amino-N-butan-2-yl-5-chloropyridine-4-carboxamide has a molecular weight of 227.69 g/mol, XLogP of 1.85, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-butan-2-yl-5-chloropyridine-4-carboxamide is sourced from PubChem (CID 114921730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).