6-[2-(oxan-3-yl)ethylamino]pyridine-3-carboxamide

C13H19N3O2 — CID 122562773

IUPAC6-[2-(oxan-3-yl)ethylamino]pyridine-3-carboxamide
SMILESNC(=O)c1ccc(NCCC2CCCOC2)nc1
InChIInChI=1S/C13H19N3O2/c14-13(17)11-3-4-12(16-8-11)15-6-5-10-2-1-7-18-9-10/h3-4,8,10H,1-2,5-7,9H2,(H2,14,17)(H,15,16)
InChIKeyYRMYEMTWFMNPCC-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.41
Rot. Bonds5

About 6-[2-(oxan-3-yl)ethylamino]pyridine-3-carboxamide

6-[2-(oxan-3-yl)ethylamino]pyridine-3-carboxamide (PubChem CID 122562773) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is 6-[2-(oxan-3-yl)ethylamino]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[2-(oxan-3-yl)ethylamino]pyridine-3-carboxamide
PubChem CID122562773
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name6-[2-(oxan-3-yl)ethylamino]pyridine-3-carboxamide
SMILESNC(=O)c1ccc(NCCC2CCCOC2)nc1
InChIInChI=1S/C13H19N3O2/c14-13(17)11-3-4-12(16-8-11)15-6-5-10-2-1-7-18-9-10/h3-4,8,10H,1-2,5-7,9H2,(H2,14,17)(H,15,16)
InChIKeyYRMYEMTWFMNPCC-UHFFFAOYSA-N
XLogP1.41
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-[(3-morpholin-4-yl-3-oxopropyl)amino]pyridine-3-carboxamide
CID 115579964
6-[(2-methyloxolan-3-yl)methylamino]pyridine-3-carboxamide
CID 114106328
N-[3-[(5-methyl-2-pyridinyl)amino]propyl]-2-[(3R)-oxan-3-yl]acetamide
CID 124626187
6-(cyclopentylamino)pyridine-3-carboxamide
CID 112722808
6-[2-(propan-2-ylamino)ethylamino]pyridine-3-carboxamide
CID 62663227
(4-morpholin-4-ylpiperidin-1-yl)-[6-[[(3R)-oxan-3-yl]methylamino]-3-pyridinyl]methanone
CID 95226251
6-(4-hydroxybutylamino)pyridine-3-carboxamide
CID 106842705
methyl 2-[2-(oxan-3-yl)ethylamino]benzoate
CID 118058964
2-N,2-N-dimethyl-6-N-[2-[(3R)-oxan-3-yl]ethyl]pyrazine-2,6-diamine
CID 125447467
2-N,2-N-dimethyl-6-N-[2-(oxan-3-yl)ethyl]pyrazine-2,6-diamine
CID 122571412
6-[2-[cyclopropyl(ethyl)amino]ethylamino]pyridine-3-carboxamide
CID 113252356
morpholin-4-yl-[6-[2-(oxan-3-yl)ethylamino]pyrazin-2-yl]methanone
CID 122568453

Frequently Asked Questions

What is the IUPAC name of 6-[2-(oxan-3-yl)ethylamino]pyridine-3-carboxamide?
The IUPAC name of 6-[2-(oxan-3-yl)ethylamino]pyridine-3-carboxamide (CID 122562773) is 6-[2-(oxan-3-yl)ethylamino]pyridine-3-carboxamide.
What is the SMILES notation for 6-[2-(oxan-3-yl)ethylamino]pyridine-3-carboxamide?
The canonical SMILES for 6-[2-(oxan-3-yl)ethylamino]pyridine-3-carboxamide is NC(=O)c1ccc(NCCC2CCCOC2)nc1.
What is the InChIKey of 6-[2-(oxan-3-yl)ethylamino]pyridine-3-carboxamide?
The InChIKey is YRMYEMTWFMNPCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c14-13(17)11-3-4-12(16-8-11)15-6-5-10-2-1-7-18-9-10/h3-4,8,10H,1-2,5-7,9H2,(H2,14,17)(H,15,16).
What are the key properties of 6-[2-(oxan-3-yl)ethylamino]pyridine-3-carboxamide?
6-[2-(oxan-3-yl)ethylamino]pyridine-3-carboxamide has a molecular weight of 249.31 g/mol, XLogP of 1.41, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(oxan-3-yl)ethylamino]pyridine-3-carboxamide is sourced from PubChem (CID 122562773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).