2-[[5-[(tert-butylamino)methyl]-3-methyl-2-pyridinyl]-propan-2-ylamino]acetamide

C16H28N4O — CID 80632065

IUPAC2-[[5-[(tert-butylamino)methyl]-3-methyl-2-pyridinyl]-propan-2-ylamino]acetamide
SMILESCc1cc(CNC(C)(C)C)cnc1N(CC(N)=O)C(C)C
InChIInChI=1S/C16H28N4O/c1-11(2)20(10-14(17)21)15-12(3)7-13(8-18-15)9-19-16(4,5)6/h7-8,11,19H,9-10H2,1-6H3,(H2,17,21)
InChIKeyKUXDQOPHZVFEPX-UHFFFAOYSA-N
MW292.43 g/mol
LogP1.98
Rot. Bonds6

About 2-[[5-[(tert-butylamino)methyl]-3-methyl-2-pyridinyl]-propan-2-ylamino]acetamide

2-[[5-[(tert-butylamino)methyl]-3-methyl-2-pyridinyl]-propan-2-ylamino]acetamide (PubChem CID 80632065) has the molecular formula C16H28N4O and a molecular weight of 292.43 g/mol. Its IUPAC name is 2-[[5-[(tert-butylamino)methyl]-3-methyl-2-pyridinyl]-propan-2-ylamino]acetamide.

Molecular Properties

Compound Name2-[[5-[(tert-butylamino)methyl]-3-methyl-2-pyridinyl]-propan-2-ylamino]acetamide
PubChem CID80632065
Molecular FormulaC16H28N4O
Molecular Weight292.43 g/mol
Exact Mass292.23
IUPAC Name2-[[5-[(tert-butylamino)methyl]-3-methyl-2-pyridinyl]-propan-2-ylamino]acetamide
SMILESCc1cc(CNC(C)(C)C)cnc1N(CC(N)=O)C(C)C
InChIInChI=1S/C16H28N4O/c1-11(2)20(10-14(17)21)15-12(3)7-13(8-18-15)9-19-16(4,5)6/h7-8,11,19H,9-10H2,1-6H3,(H2,17,21)
InChIKeyKUXDQOPHZVFEPX-UHFFFAOYSA-N
XLogP1.98
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-[(tert-butylamino)methyl]-3-methyl-2-pyridinyl]-propan-2-ylamino]acetamide?
The IUPAC name of 2-[[5-[(tert-butylamino)methyl]-3-methyl-2-pyridinyl]-propan-2-ylamino]acetamide (CID 80632065) is 2-[[5-[(tert-butylamino)methyl]-3-methyl-2-pyridinyl]-propan-2-ylamino]acetamide.
What is the SMILES notation for 2-[[5-[(tert-butylamino)methyl]-3-methyl-2-pyridinyl]-propan-2-ylamino]acetamide?
The canonical SMILES for 2-[[5-[(tert-butylamino)methyl]-3-methyl-2-pyridinyl]-propan-2-ylamino]acetamide is Cc1cc(CNC(C)(C)C)cnc1N(CC(N)=O)C(C)C.
What is the InChIKey of 2-[[5-[(tert-butylamino)methyl]-3-methyl-2-pyridinyl]-propan-2-ylamino]acetamide?
The InChIKey is KUXDQOPHZVFEPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O/c1-11(2)20(10-14(17)21)15-12(3)7-13(8-18-15)9-19-16(4,5)6/h7-8,11,19H,9-10H2,1-6H3,(H2,17,21).
What are the key properties of 2-[[5-[(tert-butylamino)methyl]-3-methyl-2-pyridinyl]-propan-2-ylamino]acetamide?
2-[[5-[(tert-butylamino)methyl]-3-methyl-2-pyridinyl]-propan-2-ylamino]acetamide has a molecular weight of 292.43 g/mol, XLogP of 1.98, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-[(tert-butylamino)methyl]-3-methyl-2-pyridinyl]-propan-2-ylamino]acetamide is sourced from PubChem (CID 80632065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).