4-[2-[4-(3-chloro-5-fluoro-2-pyridinyl)cyclohexyl]ethylamino]oxane-4-carboxamide

C19H27ClFN3O2 — CID 153338511

IUPAC4-[2-[4-(3-chloro-5-fluoro-2-pyridinyl)cyclohexyl]ethylamino]oxane-4-carboxamide
SMILESNC(=O)C1(NCCC2CCC(c3ncc(F)cc3Cl)CC2)CCOCC1
InChIInChI=1S/C19H27ClFN3O2/c20-16-11-15(21)12-23-17(16)14-3-1-13(2-4-14)5-8-24-19(18(22)25)6-9-26-10-7-19/h11-14,24H,1-10H2,(H2,22,25)
InChIKeyYDUGAGWKBFIJOZ-UHFFFAOYSA-N
MW383.90 g/mol
LogP3.16
Rot. Bonds6

About 4-[2-[4-(3-chloro-5-fluoro-2-pyridinyl)cyclohexyl]ethylamino]oxane-4-carboxamide

4-[2-[4-(3-chloro-5-fluoro-2-pyridinyl)cyclohexyl]ethylamino]oxane-4-carboxamide (PubChem CID 153338511) has the molecular formula C19H27ClFN3O2 and a molecular weight of 383.90 g/mol. Its IUPAC name is 4-[2-[4-(3-chloro-5-fluoro-2-pyridinyl)cyclohexyl]ethylamino]oxane-4-carboxamide.

Molecular Properties

Compound Name4-[2-[4-(3-chloro-5-fluoro-2-pyridinyl)cyclohexyl]ethylamino]oxane-4-carboxamide
PubChem CID153338511
Molecular FormulaC19H27ClFN3O2
Molecular Weight383.90 g/mol
Exact Mass383.18
IUPAC Name4-[2-[4-(3-chloro-5-fluoro-2-pyridinyl)cyclohexyl]ethylamino]oxane-4-carboxamide
SMILESNC(=O)C1(NCCC2CCC(c3ncc(F)cc3Cl)CC2)CCOCC1
InChIInChI=1S/C19H27ClFN3O2/c20-16-11-15(21)12-23-17(16)14-3-1-13(2-4-14)5-8-24-19(18(22)25)6-9-26-10-7-19/h11-14,24H,1-10H2,(H2,22,25)
InChIKeyYDUGAGWKBFIJOZ-UHFFFAOYSA-N
XLogP3.16
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.90
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-(3-chloro-5-fluoro-2-pyridinyl)cyclohexyl]ethylamino]oxane-4-carboxamide?
The IUPAC name of 4-[2-[4-(3-chloro-5-fluoro-2-pyridinyl)cyclohexyl]ethylamino]oxane-4-carboxamide (CID 153338511) is 4-[2-[4-(3-chloro-5-fluoro-2-pyridinyl)cyclohexyl]ethylamino]oxane-4-carboxamide.
What is the SMILES notation for 4-[2-[4-(3-chloro-5-fluoro-2-pyridinyl)cyclohexyl]ethylamino]oxane-4-carboxamide?
The canonical SMILES for 4-[2-[4-(3-chloro-5-fluoro-2-pyridinyl)cyclohexyl]ethylamino]oxane-4-carboxamide is NC(=O)C1(NCCC2CCC(c3ncc(F)cc3Cl)CC2)CCOCC1.
What is the InChIKey of 4-[2-[4-(3-chloro-5-fluoro-2-pyridinyl)cyclohexyl]ethylamino]oxane-4-carboxamide?
The InChIKey is YDUGAGWKBFIJOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27ClFN3O2/c20-16-11-15(21)12-23-17(16)14-3-1-13(2-4-14)5-8-24-19(18(22)25)6-9-26-10-7-19/h11-14,24H,1-10H2,(H2,22,25).
What are the key properties of 4-[2-[4-(3-chloro-5-fluoro-2-pyridinyl)cyclohexyl]ethylamino]oxane-4-carboxamide?
4-[2-[4-(3-chloro-5-fluoro-2-pyridinyl)cyclohexyl]ethylamino]oxane-4-carboxamide has a molecular weight of 383.90 g/mol, XLogP of 3.16, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-(3-chloro-5-fluoro-2-pyridinyl)cyclohexyl]ethylamino]oxane-4-carboxamide is sourced from PubChem (CID 153338511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).