(2-amino-5-chloro-3-pyridinyl)-(1-ethoxycyclohexyl)methanone

C14H19ClN2O2 — CID 116748436

IUPAC(2-amino-5-chloro-3-pyridinyl)-(1-ethoxycyclohexyl)methanone
SMILESCCOC1(C(=O)c2cc(Cl)cnc2N)CCCCC1
InChIInChI=1S/C14H19ClN2O2/c1-2-19-14(6-4-3-5-7-14)12(18)11-8-10(15)9-17-13(11)16/h8-9H,2-7H2,1H3,(H2,16,17)
InChIKeyNNYKSKVIARFSRS-UHFFFAOYSA-N
MW282.77 g/mol
LogP3.24
Rot. Bonds4

About (2-amino-5-chloro-3-pyridinyl)-(1-ethoxycyclohexyl)methanone

(2-amino-5-chloro-3-pyridinyl)-(1-ethoxycyclohexyl)methanone (PubChem CID 116748436) has the molecular formula C14H19ClN2O2 and a molecular weight of 282.77 g/mol. Its IUPAC name is (2-amino-5-chloro-3-pyridinyl)-(1-ethoxycyclohexyl)methanone.

Molecular Properties

Compound Name(2-amino-5-chloro-3-pyridinyl)-(1-ethoxycyclohexyl)methanone
PubChem CID116748436
Molecular FormulaC14H19ClN2O2
Molecular Weight282.77 g/mol
Exact Mass282.11
IUPAC Name(2-amino-5-chloro-3-pyridinyl)-(1-ethoxycyclohexyl)methanone
SMILESCCOC1(C(=O)c2cc(Cl)cnc2N)CCCCC1
InChIInChI=1S/C14H19ClN2O2/c1-2-19-14(6-4-3-5-7-14)12(18)11-8-10(15)9-17-13(11)16/h8-9H,2-7H2,1H3,(H2,16,17)
InChIKeyNNYKSKVIARFSRS-UHFFFAOYSA-N
XLogP3.24
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.77
LogP ≤ 53.24
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-ethoxycyclohexyl)methanone?
The IUPAC name of (2-amino-5-chloro-3-pyridinyl)-(1-ethoxycyclohexyl)methanone (CID 116748436) is (2-amino-5-chloro-3-pyridinyl)-(1-ethoxycyclohexyl)methanone.
What is the SMILES notation for (2-amino-5-chloro-3-pyridinyl)-(1-ethoxycyclohexyl)methanone?
The canonical SMILES for (2-amino-5-chloro-3-pyridinyl)-(1-ethoxycyclohexyl)methanone is CCOC1(C(=O)c2cc(Cl)cnc2N)CCCCC1.
What is the InChIKey of (2-amino-5-chloro-3-pyridinyl)-(1-ethoxycyclohexyl)methanone?
The InChIKey is NNYKSKVIARFSRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O2/c1-2-19-14(6-4-3-5-7-14)12(18)11-8-10(15)9-17-13(11)16/h8-9H,2-7H2,1H3,(H2,16,17).
What are the key properties of (2-amino-5-chloro-3-pyridinyl)-(1-ethoxycyclohexyl)methanone?
(2-amino-5-chloro-3-pyridinyl)-(1-ethoxycyclohexyl)methanone has a molecular weight of 282.77 g/mol, XLogP of 3.24, 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-ethoxycyclohexyl)methanone is sourced from PubChem (CID 116748436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).