3-[[5-amino-6-(cyclopropylmethoxy)-2-pyridinyl]-methylamino]-N-methylpropanamide

C14H22N4O2 — CID 106914165

IUPAC3-[[5-amino-6-(cyclopropylmethoxy)-2-pyridinyl]-methylamino]-N-methylpropanamide
SMILESCNC(=O)CCN(C)c1ccc(N)c(OCC2CC2)n1
InChIInChI=1S/C14H22N4O2/c1-16-13(19)7-8-18(2)12-6-5-11(15)14(17-12)20-9-10-3-4-10/h5-6,10H,3-4,7-9,15H2,1-2H3,(H,16,19)
InChIKeyRRUHKXUWIHWOKM-UHFFFAOYSA-N
MW278.36 g/mol
LogP1.02
Rot. Bonds7

About 3-[[5-amino-6-(cyclopropylmethoxy)-2-pyridinyl]-methylamino]-N-methylpropanamide

3-[[5-amino-6-(cyclopropylmethoxy)-2-pyridinyl]-methylamino]-N-methylpropanamide (PubChem CID 106914165) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is 3-[[5-amino-6-(cyclopropylmethoxy)-2-pyridinyl]-methylamino]-N-methylpropanamide.

Molecular Properties

Compound Name3-[[5-amino-6-(cyclopropylmethoxy)-2-pyridinyl]-methylamino]-N-methylpropanamide
PubChem CID106914165
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC Name3-[[5-amino-6-(cyclopropylmethoxy)-2-pyridinyl]-methylamino]-N-methylpropanamide
SMILESCNC(=O)CCN(C)c1ccc(N)c(OCC2CC2)n1
InChIInChI=1S/C14H22N4O2/c1-16-13(19)7-8-18(2)12-6-5-11(15)14(17-12)20-9-10-3-4-10/h5-6,10H,3-4,7-9,15H2,1-2H3,(H,16,19)
InChIKeyRRUHKXUWIHWOKM-UHFFFAOYSA-N
XLogP1.02
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[[5-amino-6-(cyclopropylmethoxy)-2-pyridinyl]-methylamino]-N-methylpropanamide?
The IUPAC name of 3-[[5-amino-6-(cyclopropylmethoxy)-2-pyridinyl]-methylamino]-N-methylpropanamide (CID 106914165) is 3-[[5-amino-6-(cyclopropylmethoxy)-2-pyridinyl]-methylamino]-N-methylpropanamide.
What is the SMILES notation for 3-[[5-amino-6-(cyclopropylmethoxy)-2-pyridinyl]-methylamino]-N-methylpropanamide?
The canonical SMILES for 3-[[5-amino-6-(cyclopropylmethoxy)-2-pyridinyl]-methylamino]-N-methylpropanamide is CNC(=O)CCN(C)c1ccc(N)c(OCC2CC2)n1.
What is the InChIKey of 3-[[5-amino-6-(cyclopropylmethoxy)-2-pyridinyl]-methylamino]-N-methylpropanamide?
The InChIKey is RRUHKXUWIHWOKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2/c1-16-13(19)7-8-18(2)12-6-5-11(15)14(17-12)20-9-10-3-4-10/h5-6,10H,3-4,7-9,15H2,1-2H3,(H,16,19).
What are the key properties of 3-[[5-amino-6-(cyclopropylmethoxy)-2-pyridinyl]-methylamino]-N-methylpropanamide?
3-[[5-amino-6-(cyclopropylmethoxy)-2-pyridinyl]-methylamino]-N-methylpropanamide has a molecular weight of 278.36 g/mol, XLogP of 1.02, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-amino-6-(cyclopropylmethoxy)-2-pyridinyl]-methylamino]-N-methylpropanamide is sourced from PubChem (CID 106914165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).