6-[3-[(2R)-oxan-2-yl]propylamino]pyridine-2-carbonitrile

C14H19N3O — CID 124618528

IUPAC6-[3-[(2R)-oxan-2-yl]propylamino]pyridine-2-carbonitrile
SMILESN#Cc1cccc(NCCC[C@H]2CCCCO2)n1
InChIInChI=1S/C14H19N3O/c15-11-12-5-3-8-14(17-12)16-9-4-7-13-6-1-2-10-18-13/h3,5,8,13H,1-2,4,6-7,9-10H2,(H,16,17)/t13-/m1/s1
InChIKeyIQYHKAZJORDMHO-CYBMUJFWSA-N
MW245.33 g/mol
LogP2.71
Rot. Bonds5

About 6-[3-[(2R)-oxan-2-yl]propylamino]pyridine-2-carbonitrile

6-[3-[(2R)-oxan-2-yl]propylamino]pyridine-2-carbonitrile (PubChem CID 124618528) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 6-[3-[(2R)-oxan-2-yl]propylamino]pyridine-2-carbonitrile.

Molecular Properties

Compound Name6-[3-[(2R)-oxan-2-yl]propylamino]pyridine-2-carbonitrile
PubChem CID124618528
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name6-[3-[(2R)-oxan-2-yl]propylamino]pyridine-2-carbonitrile
SMILESN#Cc1cccc(NCCC[C@H]2CCCCO2)n1
InChIInChI=1S/C14H19N3O/c15-11-12-5-3-8-14(17-12)16-9-4-7-13-6-1-2-10-18-13/h3,5,8,13H,1-2,4,6-7,9-10H2,(H,16,17)/t13-/m1/s1
InChIKeyIQYHKAZJORDMHO-CYBMUJFWSA-N
XLogP2.71
TPSA57.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[3-(oxan-2-yl)propylamino]pyridine-4-carbonitrile
CID 136542339
6-methoxy-N-[2-(oxolan-2-yl)ethyl]pyridin-2-amine
CID 63589868
6-(oxan-2-ylmethoxy)-N-propylpyridin-2-amine
CID 80859693
4-methyl-3-[3-(oxolan-2-yl)propylamino]benzonitrile
CID 65163795
N-[6-(3-aminoprop-1-ynyl)-2-pyridinyl]-3-(oxan-2-yl)propanamide
CID 63951171
2,3-dimethyl-N-[3-(oxolan-2-yl)propyl]aniline
CID 65163393
2-[3-(oxolan-2-yl)propylamino]-5-(trifluoromethyl)benzonitrile
CID 115911107
3-(6-cyano-2-pyridinyl)-N-methyl-N-[3-[(2R)-oxolan-2-yl]propyl]benzamide
CID 126444243
6-chloro-N-[2-(oxan-2-yl)ethyl]pyrazin-2-amine
CID 103990689
3-[2-(oxan-2-yl)ethylamino]pyridine-4-carbonitrile
CID 113362602
6-bromo-N-[3-(oxan-2-yloxy)propyl]pyridin-2-amine
CID 18771920
2-[3-(oxan-2-yl)propyl]oxane
CID 71182925

Frequently Asked Questions

What is the IUPAC name of 6-[3-[(2R)-oxan-2-yl]propylamino]pyridine-2-carbonitrile?
The IUPAC name of 6-[3-[(2R)-oxan-2-yl]propylamino]pyridine-2-carbonitrile (CID 124618528) is 6-[3-[(2R)-oxan-2-yl]propylamino]pyridine-2-carbonitrile.
What is the SMILES notation for 6-[3-[(2R)-oxan-2-yl]propylamino]pyridine-2-carbonitrile?
The canonical SMILES for 6-[3-[(2R)-oxan-2-yl]propylamino]pyridine-2-carbonitrile is N#Cc1cccc(NCCC[C@H]2CCCCO2)n1.
What is the InChIKey of 6-[3-[(2R)-oxan-2-yl]propylamino]pyridine-2-carbonitrile?
The InChIKey is IQYHKAZJORDMHO-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H19N3O/c15-11-12-5-3-8-14(17-12)16-9-4-7-13-6-1-2-10-18-13/h3,5,8,13H,1-2,4,6-7,9-10H2,(H,16,17)/t13-/m1/s1.
What are the key properties of 6-[3-[(2R)-oxan-2-yl]propylamino]pyridine-2-carbonitrile?
6-[3-[(2R)-oxan-2-yl]propylamino]pyridine-2-carbonitrile has a molecular weight of 245.33 g/mol, XLogP of 2.71, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-[(2R)-oxan-2-yl]propylamino]pyridine-2-carbonitrile is sourced from PubChem (CID 124618528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).