(2-amino-5-chloro-3-pyridinyl)-(1-ethoxy-4,4-dimethylcyclohexyl)methanone

C16H23ClN2O2 — CID 116750132

IUPAC(2-amino-5-chloro-3-pyridinyl)-(1-ethoxy-4,4-dimethylcyclohexyl)methanone
SMILESCCOC1(C(=O)c2cc(Cl)cnc2N)CCC(C)(C)CC1
InChIInChI=1S/C16H23ClN2O2/c1-4-21-16(7-5-15(2,3)6-8-16)13(20)12-9-11(17)10-19-14(12)18/h9-10H,4-8H2,1-3H3,(H2,18,19)
InChIKeyFLTXIFBNNTZDFU-UHFFFAOYSA-N
MW310.82 g/mol
LogP3.88
Rot. Bonds4

About (2-amino-5-chloro-3-pyridinyl)-(1-ethoxy-4,4-dimethylcyclohexyl)methanone

(2-amino-5-chloro-3-pyridinyl)-(1-ethoxy-4,4-dimethylcyclohexyl)methanone (PubChem CID 116750132) has the molecular formula C16H23ClN2O2 and a molecular weight of 310.82 g/mol. Its IUPAC name is (2-amino-5-chloro-3-pyridinyl)-(1-ethoxy-4,4-dimethylcyclohexyl)methanone.

Molecular Properties

Compound Name(2-amino-5-chloro-3-pyridinyl)-(1-ethoxy-4,4-dimethylcyclohexyl)methanone
PubChem CID116750132
Molecular FormulaC16H23ClN2O2
Molecular Weight310.82 g/mol
Exact Mass310.14
IUPAC Name(2-amino-5-chloro-3-pyridinyl)-(1-ethoxy-4,4-dimethylcyclohexyl)methanone
SMILESCCOC1(C(=O)c2cc(Cl)cnc2N)CCC(C)(C)CC1
InChIInChI=1S/C16H23ClN2O2/c1-4-21-16(7-5-15(2,3)6-8-16)13(20)12-9-11(17)10-19-14(12)18/h9-10H,4-8H2,1-3H3,(H2,18,19)
InChIKeyFLTXIFBNNTZDFU-UHFFFAOYSA-N
XLogP3.88
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.82
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2-amino-5-chloro-3-pyridinyl)-(1-ethoxy-4,4-dimethylcyclohexyl)methanone?
The IUPAC name of (2-amino-5-chloro-3-pyridinyl)-(1-ethoxy-4,4-dimethylcyclohexyl)methanone (CID 116750132) is (2-amino-5-chloro-3-pyridinyl)-(1-ethoxy-4,4-dimethylcyclohexyl)methanone.
What is the SMILES notation for (2-amino-5-chloro-3-pyridinyl)-(1-ethoxy-4,4-dimethylcyclohexyl)methanone?
The canonical SMILES for (2-amino-5-chloro-3-pyridinyl)-(1-ethoxy-4,4-dimethylcyclohexyl)methanone is CCOC1(C(=O)c2cc(Cl)cnc2N)CCC(C)(C)CC1.
What is the InChIKey of (2-amino-5-chloro-3-pyridinyl)-(1-ethoxy-4,4-dimethylcyclohexyl)methanone?
The InChIKey is FLTXIFBNNTZDFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN2O2/c1-4-21-16(7-5-15(2,3)6-8-16)13(20)12-9-11(17)10-19-14(12)18/h9-10H,4-8H2,1-3H3,(H2,18,19).
What are the key properties of (2-amino-5-chloro-3-pyridinyl)-(1-ethoxy-4,4-dimethylcyclohexyl)methanone?
(2-amino-5-chloro-3-pyridinyl)-(1-ethoxy-4,4-dimethylcyclohexyl)methanone has a molecular weight of 310.82 g/mol, XLogP of 3.88, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-5-chloro-3-pyridinyl)-(1-ethoxy-4,4-dimethylcyclohexyl)methanone is sourced from PubChem (CID 116750132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).