[5-amino-4,6-di(propan-2-yl)-2-pyridinyl]methyl-methylcarbamic acid

C14H23N3O2 — CID 146303842

IUPAC[5-amino-4,6-di(propan-2-yl)-2-pyridinyl]methyl-methylcarbamic acid
SMILESCC(C)c1cc(CN(C)C(=O)O)nc(C(C)C)c1N
InChIInChI=1S/C14H23N3O2/c1-8(2)11-6-10(7-17(5)14(18)19)16-13(9(3)4)12(11)15/h6,8-9H,7,15H2,1-5H3,(H,18,19)
InChIKeyTYYYSNFIGIYUAA-UHFFFAOYSA-N
MW265.36 g/mol
LogP3.02
Rot. Bonds4

About [5-amino-4,6-di(propan-2-yl)-2-pyridinyl]methyl-methylcarbamic acid

[5-amino-4,6-di(propan-2-yl)-2-pyridinyl]methyl-methylcarbamic acid (PubChem CID 146303842) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is [5-amino-4,6-di(propan-2-yl)-2-pyridinyl]methyl-methylcarbamic acid.

Molecular Properties

Compound Name[5-amino-4,6-di(propan-2-yl)-2-pyridinyl]methyl-methylcarbamic acid
PubChem CID146303842
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name[5-amino-4,6-di(propan-2-yl)-2-pyridinyl]methyl-methylcarbamic acid
SMILESCC(C)c1cc(CN(C)C(=O)O)nc(C(C)C)c1N
InChIInChI=1S/C14H23N3O2/c1-8(2)11-6-10(7-17(5)14(18)19)16-13(9(3)4)12(11)15/h6,8-9H,7,15H2,1-5H3,(H,18,19)
InChIKeyTYYYSNFIGIYUAA-UHFFFAOYSA-N
XLogP3.02
TPSA79.45 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [5-amino-4,6-di(propan-2-yl)-2-pyridinyl]methyl-methylcarbamic acid?
The IUPAC name of [5-amino-4,6-di(propan-2-yl)-2-pyridinyl]methyl-methylcarbamic acid (CID 146303842) is [5-amino-4,6-di(propan-2-yl)-2-pyridinyl]methyl-methylcarbamic acid.
What is the SMILES notation for [5-amino-4,6-di(propan-2-yl)-2-pyridinyl]methyl-methylcarbamic acid?
The canonical SMILES for [5-amino-4,6-di(propan-2-yl)-2-pyridinyl]methyl-methylcarbamic acid is CC(C)c1cc(CN(C)C(=O)O)nc(C(C)C)c1N.
What is the InChIKey of [5-amino-4,6-di(propan-2-yl)-2-pyridinyl]methyl-methylcarbamic acid?
The InChIKey is TYYYSNFIGIYUAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-8(2)11-6-10(7-17(5)14(18)19)16-13(9(3)4)12(11)15/h6,8-9H,7,15H2,1-5H3,(H,18,19).
What are the key properties of [5-amino-4,6-di(propan-2-yl)-2-pyridinyl]methyl-methylcarbamic acid?
[5-amino-4,6-di(propan-2-yl)-2-pyridinyl]methyl-methylcarbamic acid has a molecular weight of 265.36 g/mol, XLogP of 3.02, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-amino-4,6-di(propan-2-yl)-2-pyridinyl]methyl-methylcarbamic acid is sourced from PubChem (CID 146303842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).