5-chloro-6-(ethylamino)-N-[2-(oxan-2-yl)ethyl]pyridine-3-carboxamide

C15H22ClN3O2 — CID 106000787

IUPAC5-chloro-6-(ethylamino)-N-[2-(oxan-2-yl)ethyl]pyridine-3-carboxamide
SMILESCCNc1ncc(C(=O)NCCC2CCCCO2)cc1Cl
InChIInChI=1S/C15H22ClN3O2/c1-2-17-14-13(16)9-11(10-19-14)15(20)18-7-6-12-5-3-4-8-21-12/h9-10,12H,2-8H2,1H3,(H,17,19)(H,18,20)
InChIKeyFQDCKXJDBRQLKX-UHFFFAOYSA-N
MW311.81 g/mol
LogP2.86
Rot. Bonds6

About 5-chloro-6-(ethylamino)-N-[2-(oxan-2-yl)ethyl]pyridine-3-carboxamide

5-chloro-6-(ethylamino)-N-[2-(oxan-2-yl)ethyl]pyridine-3-carboxamide (PubChem CID 106000787) has the molecular formula C15H22ClN3O2 and a molecular weight of 311.81 g/mol. Its IUPAC name is 5-chloro-6-(ethylamino)-N-[2-(oxan-2-yl)ethyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-chloro-6-(ethylamino)-N-[2-(oxan-2-yl)ethyl]pyridine-3-carboxamide
PubChem CID106000787
Molecular FormulaC15H22ClN3O2
Molecular Weight311.81 g/mol
Exact Mass311.14
IUPAC Name5-chloro-6-(ethylamino)-N-[2-(oxan-2-yl)ethyl]pyridine-3-carboxamide
SMILESCCNc1ncc(C(=O)NCCC2CCCCO2)cc1Cl
InChIInChI=1S/C15H22ClN3O2/c1-2-17-14-13(16)9-11(10-19-14)15(20)18-7-6-12-5-3-4-8-21-12/h9-10,12H,2-8H2,1H3,(H,17,19)(H,18,20)
InChIKeyFQDCKXJDBRQLKX-UHFFFAOYSA-N
XLogP2.86
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.81
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5,6-dichloro-N-[2-(oxan-2-yl)ethyl]pyridine-3-carboxamide
CID 103993210
5-chloro-6-(ethylamino)-N-(4-hydroxycyclohexyl)pyridine-3-carboxamide
CID 62171335
6-(ethylamino)-N-[2-(oxolan-2-yl)ethyl]pyridine-3-carboxamide
CID 62176089
5-chloro-6-(ethylamino)-N-(2-morpholin-4-ylethyl)pyridine-3-carboxamide
CID 62166235
5-chloro-N-[2-(oxolan-2-yl)ethyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 51116396
5-chloro-6-(ethylamino)-N-[(4-methylcyclohexyl)methyl]pyridine-3-carboxamide
CID 63499570
N-(2-butoxyethyl)-5-chloro-6-(ethylamino)pyridine-3-carboxamide
CID 62176364
2-chloro-6-methyl-N-[2-(oxan-2-yl)ethyl]pyridine-4-carboxamide
CID 104952816
5-chloro-6-(ethylamino)-N-(1-methylpiperidin-3-yl)pyridine-3-carboxamide
CID 62180970
5-chloro-6-(ethylamino)-N-(2-methylcyclopropyl)pyridine-3-carboxamide
CID 55071772
5-chloro-N-cyclobutyl-6-(propylamino)pyridine-3-carboxamide
CID 62414075
5-chloro-6-(ethylamino)-N-(2-thiomorpholin-4-ylethyl)pyridine-3-carboxamide
CID 106327037

Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-(ethylamino)-N-[2-(oxan-2-yl)ethyl]pyridine-3-carboxamide?
The IUPAC name of 5-chloro-6-(ethylamino)-N-[2-(oxan-2-yl)ethyl]pyridine-3-carboxamide (CID 106000787) is 5-chloro-6-(ethylamino)-N-[2-(oxan-2-yl)ethyl]pyridine-3-carboxamide.
What is the SMILES notation for 5-chloro-6-(ethylamino)-N-[2-(oxan-2-yl)ethyl]pyridine-3-carboxamide?
The canonical SMILES for 5-chloro-6-(ethylamino)-N-[2-(oxan-2-yl)ethyl]pyridine-3-carboxamide is CCNc1ncc(C(=O)NCCC2CCCCO2)cc1Cl.
What is the InChIKey of 5-chloro-6-(ethylamino)-N-[2-(oxan-2-yl)ethyl]pyridine-3-carboxamide?
The InChIKey is FQDCKXJDBRQLKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClN3O2/c1-2-17-14-13(16)9-11(10-19-14)15(20)18-7-6-12-5-3-4-8-21-12/h9-10,12H,2-8H2,1H3,(H,17,19)(H,18,20).
What are the key properties of 5-chloro-6-(ethylamino)-N-[2-(oxan-2-yl)ethyl]pyridine-3-carboxamide?
5-chloro-6-(ethylamino)-N-[2-(oxan-2-yl)ethyl]pyridine-3-carboxamide has a molecular weight of 311.81 g/mol, XLogP of 2.86, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-(ethylamino)-N-[2-(oxan-2-yl)ethyl]pyridine-3-carboxamide is sourced from PubChem (CID 106000787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).