(2-amino-3-pyridinyl)-(1-methoxycyclohexyl)methanone

C13H18N2O2 — CID 116748021

IUPAC(2-amino-3-pyridinyl)-(1-methoxycyclohexyl)methanone
SMILESCOC1(C(=O)c2cccnc2N)CCCCC1
InChIInChI=1S/C13H18N2O2/c1-17-13(7-3-2-4-8-13)11(16)10-6-5-9-15-12(10)14/h5-6,9H,2-4,7-8H2,1H3,(H2,14,15)
InChIKeyRRDRPYBVQJTEJB-UHFFFAOYSA-N
MW234.30 g/mol
LogP2.20
Rot. Bonds3

About (2-amino-3-pyridinyl)-(1-methoxycyclohexyl)methanone

(2-amino-3-pyridinyl)-(1-methoxycyclohexyl)methanone (PubChem CID 116748021) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is (2-amino-3-pyridinyl)-(1-methoxycyclohexyl)methanone.

Molecular Properties

Compound Name(2-amino-3-pyridinyl)-(1-methoxycyclohexyl)methanone
PubChem CID116748021
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name(2-amino-3-pyridinyl)-(1-methoxycyclohexyl)methanone
SMILESCOC1(C(=O)c2cccnc2N)CCCCC1
InChIInChI=1S/C13H18N2O2/c1-17-13(7-3-2-4-8-13)11(16)10-6-5-9-15-12(10)14/h5-6,9H,2-4,7-8H2,1H3,(H2,14,15)
InChIKeyRRDRPYBVQJTEJB-UHFFFAOYSA-N
XLogP2.20
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2-amino-3-pyridinyl)-(1-methoxycyclohexyl)methanone?
The IUPAC name of (2-amino-3-pyridinyl)-(1-methoxycyclohexyl)methanone (CID 116748021) is (2-amino-3-pyridinyl)-(1-methoxycyclohexyl)methanone.
What is the SMILES notation for (2-amino-3-pyridinyl)-(1-methoxycyclohexyl)methanone?
The canonical SMILES for (2-amino-3-pyridinyl)-(1-methoxycyclohexyl)methanone is COC1(C(=O)c2cccnc2N)CCCCC1.
What is the InChIKey of (2-amino-3-pyridinyl)-(1-methoxycyclohexyl)methanone?
The InChIKey is RRDRPYBVQJTEJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-17-13(7-3-2-4-8-13)11(16)10-6-5-9-15-12(10)14/h5-6,9H,2-4,7-8H2,1H3,(H2,14,15).
What are the key properties of (2-amino-3-pyridinyl)-(1-methoxycyclohexyl)methanone?
(2-amino-3-pyridinyl)-(1-methoxycyclohexyl)methanone has a molecular weight of 234.30 g/mol, XLogP of 2.20, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-3-pyridinyl)-(1-methoxycyclohexyl)methanone is sourced from PubChem (CID 116748021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).