[(3S)-3-[[(3-amino-6-methoxy-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]-cyclopropylmethanone

C15H22N4O2 — CID 86673908

IUPAC[(3S)-3-[[(3-amino-6-methoxy-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]-cyclopropylmethanone
SMILESCOc1ccc(N)c(NC[C@@H]2CCN(C(=O)C3CC3)C2)n1
InChIInChI=1S/C15H22N4O2/c1-21-13-5-4-12(16)14(18-13)17-8-10-6-7-19(9-10)15(20)11-2-3-11/h4-5,10-11H,2-3,6-9,16H2,1H3,(H,17,18)/t10-/m0/s1
InChIKeyHSTDPHDOGJRQBE-JTQLQIEISA-N
MW290.37 g/mol
LogP1.34
Rot. Bonds5

About [(3S)-3-[[(3-amino-6-methoxy-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]-cyclopropylmethanone

[(3S)-3-[[(3-amino-6-methoxy-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]-cyclopropylmethanone (PubChem CID 86673908) has the molecular formula C15H22N4O2 and a molecular weight of 290.37 g/mol. Its IUPAC name is [(3S)-3-[[(3-amino-6-methoxy-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]-cyclopropylmethanone.

Molecular Properties

Compound Name[(3S)-3-[[(3-amino-6-methoxy-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]-cyclopropylmethanone
PubChem CID86673908
Molecular FormulaC15H22N4O2
Molecular Weight290.37 g/mol
Exact Mass290.17
IUPAC Name[(3S)-3-[[(3-amino-6-methoxy-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]-cyclopropylmethanone
SMILESCOc1ccc(N)c(NC[C@@H]2CCN(C(=O)C3CC3)C2)n1
InChIInChI=1S/C15H22N4O2/c1-21-13-5-4-12(16)14(18-13)17-8-10-6-7-19(9-10)15(20)11-2-3-11/h4-5,10-11H,2-3,6-9,16H2,1H3,(H,17,18)/t10-/m0/s1
InChIKeyHSTDPHDOGJRQBE-JTQLQIEISA-N
XLogP1.34
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [(3S)-3-[[(3-amino-6-methoxy-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]-cyclopropylmethanone?
The IUPAC name of [(3S)-3-[[(3-amino-6-methoxy-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]-cyclopropylmethanone (CID 86673908) is [(3S)-3-[[(3-amino-6-methoxy-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]-cyclopropylmethanone.
What is the SMILES notation for [(3S)-3-[[(3-amino-6-methoxy-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]-cyclopropylmethanone?
The canonical SMILES for [(3S)-3-[[(3-amino-6-methoxy-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]-cyclopropylmethanone is COc1ccc(N)c(NC[C@@H]2CCN(C(=O)C3CC3)C2)n1.
What is the InChIKey of [(3S)-3-[[(3-amino-6-methoxy-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]-cyclopropylmethanone?
The InChIKey is HSTDPHDOGJRQBE-JTQLQIEISA-N. The full InChI is InChI=1S/C15H22N4O2/c1-21-13-5-4-12(16)14(18-13)17-8-10-6-7-19(9-10)15(20)11-2-3-11/h4-5,10-11H,2-3,6-9,16H2,1H3,(H,17,18)/t10-/m0/s1.
What are the key properties of [(3S)-3-[[(3-amino-6-methoxy-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]-cyclopropylmethanone?
[(3S)-3-[[(3-amino-6-methoxy-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]-cyclopropylmethanone has a molecular weight of 290.37 g/mol, XLogP of 1.34, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-[[(3-amino-6-methoxy-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]-cyclopropylmethanone is sourced from PubChem (CID 86673908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).