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

C14H24N4O — CID 80630555

IUPAC2-[[5-[(tert-butylamino)methyl]-3-methyl-2-pyridinyl]-methylamino]acetamide
SMILESCc1cc(CNC(C)(C)C)cnc1N(C)CC(N)=O
InChIInChI=1S/C14H24N4O/c1-10-6-11(8-17-14(2,3)4)7-16-13(10)18(5)9-12(15)19/h6-7,17H,8-9H2,1-5H3,(H2,15,19)
InChIKeyVVTPTSUXEFVGNP-UHFFFAOYSA-N
MW264.37 g/mol
LogP1.20
Rot. Bonds5

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

2-[[5-[(tert-butylamino)methyl]-3-methyl-2-pyridinyl]-methylamino]acetamide (PubChem CID 80630555) has the molecular formula C14H24N4O and a molecular weight of 264.37 g/mol. Its IUPAC name is 2-[[5-[(tert-butylamino)methyl]-3-methyl-2-pyridinyl]-methylamino]acetamide.

Molecular Properties

Compound Name2-[[5-[(tert-butylamino)methyl]-3-methyl-2-pyridinyl]-methylamino]acetamide
PubChem CID80630555
Molecular FormulaC14H24N4O
Molecular Weight264.37 g/mol
Exact Mass264.20
IUPAC Name2-[[5-[(tert-butylamino)methyl]-3-methyl-2-pyridinyl]-methylamino]acetamide
SMILESCc1cc(CNC(C)(C)C)cnc1N(C)CC(N)=O
InChIInChI=1S/C14H24N4O/c1-10-6-11(8-17-14(2,3)4)7-16-13(10)18(5)9-12(15)19/h6-7,17H,8-9H2,1-5H3,(H2,15,19)
InChIKeyVVTPTSUXEFVGNP-UHFFFAOYSA-N
XLogP1.20
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.20
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]-methylamino]acetamide?
The IUPAC name of 2-[[5-[(tert-butylamino)methyl]-3-methyl-2-pyridinyl]-methylamino]acetamide (CID 80630555) is 2-[[5-[(tert-butylamino)methyl]-3-methyl-2-pyridinyl]-methylamino]acetamide.
What is the SMILES notation for 2-[[5-[(tert-butylamino)methyl]-3-methyl-2-pyridinyl]-methylamino]acetamide?
The canonical SMILES for 2-[[5-[(tert-butylamino)methyl]-3-methyl-2-pyridinyl]-methylamino]acetamide is Cc1cc(CNC(C)(C)C)cnc1N(C)CC(N)=O.
What is the InChIKey of 2-[[5-[(tert-butylamino)methyl]-3-methyl-2-pyridinyl]-methylamino]acetamide?
The InChIKey is VVTPTSUXEFVGNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O/c1-10-6-11(8-17-14(2,3)4)7-16-13(10)18(5)9-12(15)19/h6-7,17H,8-9H2,1-5H3,(H2,15,19).
What are the key properties of 2-[[5-[(tert-butylamino)methyl]-3-methyl-2-pyridinyl]-methylamino]acetamide?
2-[[5-[(tert-butylamino)methyl]-3-methyl-2-pyridinyl]-methylamino]acetamide has a molecular weight of 264.37 g/mol, XLogP of 1.20, 5 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]-methylamino]acetamide is sourced from PubChem (CID 80630555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).