2-[(5-amino-3-pyridinyl)amino]-N-tert-butylacetamide

C11H18N4O — CID 104535517

IUPAC2-[(5-amino-3-pyridinyl)amino]-N-tert-butylacetamide
SMILESCC(C)(C)NC(=O)CNc1cncc(N)c1
InChIInChI=1S/C11H18N4O/c1-11(2,3)15-10(16)7-14-9-4-8(12)5-13-6-9/h4-6,14H,7,12H2,1-3H3,(H,15,16)
InChIKeyCFPQDKRBSKAPMT-UHFFFAOYSA-N
MW222.29 g/mol
LogP0.99
Rot. Bonds3

About 2-[(5-amino-3-pyridinyl)amino]-N-tert-butylacetamide

2-[(5-amino-3-pyridinyl)amino]-N-tert-butylacetamide (PubChem CID 104535517) has the molecular formula C11H18N4O and a molecular weight of 222.29 g/mol. Its IUPAC name is 2-[(5-amino-3-pyridinyl)amino]-N-tert-butylacetamide.

Molecular Properties

Compound Name2-[(5-amino-3-pyridinyl)amino]-N-tert-butylacetamide
PubChem CID104535517
Molecular FormulaC11H18N4O
Molecular Weight222.29 g/mol
Exact Mass222.15
IUPAC Name2-[(5-amino-3-pyridinyl)amino]-N-tert-butylacetamide
SMILESCC(C)(C)NC(=O)CNc1cncc(N)c1
InChIInChI=1S/C11H18N4O/c1-11(2,3)15-10(16)7-14-9-4-8(12)5-13-6-9/h4-6,14H,7,12H2,1-3H3,(H,15,16)
InChIKeyCFPQDKRBSKAPMT-UHFFFAOYSA-N
XLogP0.99
TPSA80.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 50.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-Pyridin-4-ylacetamide
CID 21288
3-Acetamidopyridine
CID 79978
N-phenyl-N'-pyridin-3-yloxamide
CID 1949535
4-(2,2,2-Trimethylacetamido)pyridine
CID 427059
N-(pyridin-3-yl)prop-2-enamide
CID 43616243
1,4-Dihydropyrido[3,4-b]pyrazine-2,3-dione
CID 10797083
1H,2H,3H,4H-pyrido(3,4-b)pyrazin-3-one
CID 18645755
N-(pyridin-2-ylmethyl)acetamide
CID 5084090
N-(propan-2-yl)-N'-(pyridin-2-ylmethyl)ethanediamide
CID 2053858
2-Methyl-1-phenylcarbamoylmethyl-pyridinium
CID 24746771
1-(2-Anilino-2-oxoethyl)pyridinium
CID 459590
N~1~,N~3~-di(3-pyridinyl)malonamide
CID 1472074

Frequently Asked Questions

What is the IUPAC name of 2-[(5-amino-3-pyridinyl)amino]-N-tert-butylacetamide?
The IUPAC name of 2-[(5-amino-3-pyridinyl)amino]-N-tert-butylacetamide (CID 104535517) is 2-[(5-amino-3-pyridinyl)amino]-N-tert-butylacetamide.
What is the SMILES notation for 2-[(5-amino-3-pyridinyl)amino]-N-tert-butylacetamide?
The canonical SMILES for 2-[(5-amino-3-pyridinyl)amino]-N-tert-butylacetamide is CC(C)(C)NC(=O)CNc1cncc(N)c1.
What is the InChIKey of 2-[(5-amino-3-pyridinyl)amino]-N-tert-butylacetamide?
The InChIKey is CFPQDKRBSKAPMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O/c1-11(2,3)15-10(16)7-14-9-4-8(12)5-13-6-9/h4-6,14H,7,12H2,1-3H3,(H,15,16).
What are the key properties of 2-[(5-amino-3-pyridinyl)amino]-N-tert-butylacetamide?
2-[(5-amino-3-pyridinyl)amino]-N-tert-butylacetamide has a molecular weight of 222.29 g/mol, XLogP of 0.99, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-amino-3-pyridinyl)amino]-N-tert-butylacetamide is sourced from PubChem (CID 104535517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).