3-[(2-propoxy-3-pyridinyl)methylamino]pyrazine-2-carbonitrile

C14H15N5O — CID 133284272

IUPAC3-[(2-propoxy-3-pyridinyl)methylamino]pyrazine-2-carbonitrile
SMILESCCCOc1ncccc1CNc1nccnc1C#N
InChIInChI=1S/C14H15N5O/c1-2-8-20-14-11(4-3-5-18-14)10-19-13-12(9-15)16-6-7-17-13/h3-7H,2,8,10H2,1H3,(H,17,19)
InChIKeyFSLQLKZLAJJGGB-UHFFFAOYSA-N
MW269.31 g/mol
LogP2.14
Rot. Bonds6

About 3-[(2-propoxy-3-pyridinyl)methylamino]pyrazine-2-carbonitrile

3-[(2-propoxy-3-pyridinyl)methylamino]pyrazine-2-carbonitrile (PubChem CID 133284272) has the molecular formula C14H15N5O and a molecular weight of 269.31 g/mol. Its IUPAC name is 3-[(2-propoxy-3-pyridinyl)methylamino]pyrazine-2-carbonitrile.

Molecular Properties

Compound Name3-[(2-propoxy-3-pyridinyl)methylamino]pyrazine-2-carbonitrile
PubChem CID133284272
Molecular FormulaC14H15N5O
Molecular Weight269.31 g/mol
Exact Mass269.13
IUPAC Name3-[(2-propoxy-3-pyridinyl)methylamino]pyrazine-2-carbonitrile
SMILESCCCOc1ncccc1CNc1nccnc1C#N
InChIInChI=1S/C14H15N5O/c1-2-8-20-14-11(4-3-5-18-14)10-19-13-12(9-15)16-6-7-17-13/h3-7H,2,8,10H2,1H3,(H,17,19)
InChIKeyFSLQLKZLAJJGGB-UHFFFAOYSA-N
XLogP2.14
TPSA83.72 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.31
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[(2-phenoxyphenyl)methylamino]pyrazine-2-carbonitrile
CID 133284487
N-methyl-1-(2-pentoxy-3-pyridinyl)methanamine
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3-[(2-methoxy-3-pyridinyl)methylamino]pyridazine-4-carbonitrile
CID 80515426
3-(thiophen-2-ylmethylamino)pyrazine-2-carbonitrile
CID 55133484
3-(3-propoxyanilino)pyrazine-2-carbonitrile
CID 133282980
3-(2-methoxyethylamino)pyrazine-2-carbonitrile
CID 62671434
N-[[2-(2-propoxyethoxy)-3-pyridinyl]methyl]propan-1-amine
CID 63685132
3-[[3-(methoxymethyl)phenyl]methylamino]pyrazine-2-carbonitrile
CID 62672178
3-[(2-ethoxyanilino)methyl]pyridine-2-carbonitrile
CID 55128443
3-(octylamino)pyrazine-2-carbonitrile
CID 115568129
N-[[2-(3,3-dimethylbutoxy)-3-pyridinyl]methyl]ethanamine
CID 66226371
3-(furan-2-ylmethylamino)pyrazine-2-carbonitrile
CID 62671433

Frequently Asked Questions

What is the IUPAC name of 3-[(2-propoxy-3-pyridinyl)methylamino]pyrazine-2-carbonitrile?
The IUPAC name of 3-[(2-propoxy-3-pyridinyl)methylamino]pyrazine-2-carbonitrile (CID 133284272) is 3-[(2-propoxy-3-pyridinyl)methylamino]pyrazine-2-carbonitrile.
What is the SMILES notation for 3-[(2-propoxy-3-pyridinyl)methylamino]pyrazine-2-carbonitrile?
The canonical SMILES for 3-[(2-propoxy-3-pyridinyl)methylamino]pyrazine-2-carbonitrile is CCCOc1ncccc1CNc1nccnc1C#N.
What is the InChIKey of 3-[(2-propoxy-3-pyridinyl)methylamino]pyrazine-2-carbonitrile?
The InChIKey is FSLQLKZLAJJGGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5O/c1-2-8-20-14-11(4-3-5-18-14)10-19-13-12(9-15)16-6-7-17-13/h3-7H,2,8,10H2,1H3,(H,17,19).
What are the key properties of 3-[(2-propoxy-3-pyridinyl)methylamino]pyrazine-2-carbonitrile?
3-[(2-propoxy-3-pyridinyl)methylamino]pyrazine-2-carbonitrile has a molecular weight of 269.31 g/mol, XLogP of 2.14, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-propoxy-3-pyridinyl)methylamino]pyrazine-2-carbonitrile is sourced from PubChem (CID 133284272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).