4-[(5-methylpyrazin-2-yl)methylamino]quinoline-3-carbonitrile

C16H13N5 — CID 62846842

IUPAC4-[(5-methylpyrazin-2-yl)methylamino]quinoline-3-carbonitrile
SMILESCc1cnc(CNc2c(C#N)cnc3ccccc23)cn1
InChIInChI=1S/C16H13N5/c1-11-7-19-13(9-18-11)10-21-16-12(6-17)8-20-15-5-3-2-4-14(15)16/h2-5,7-9H,10H2,1H3,(H,20,21)
InChIKeyHKBMOORPLQRLPX-UHFFFAOYSA-N
MW275.32 g/mol
LogP2.82
Rot. Bonds3

About 4-[(5-methylpyrazin-2-yl)methylamino]quinoline-3-carbonitrile

4-[(5-methylpyrazin-2-yl)methylamino]quinoline-3-carbonitrile (PubChem CID 62846842) has the molecular formula C16H13N5 and a molecular weight of 275.32 g/mol. Its IUPAC name is 4-[(5-methylpyrazin-2-yl)methylamino]quinoline-3-carbonitrile.

Molecular Properties

Compound Name4-[(5-methylpyrazin-2-yl)methylamino]quinoline-3-carbonitrile
PubChem CID62846842
Molecular FormulaC16H13N5
Molecular Weight275.32 g/mol
Exact Mass275.12
IUPAC Name4-[(5-methylpyrazin-2-yl)methylamino]quinoline-3-carbonitrile
SMILESCc1cnc(CNc2c(C#N)cnc3ccccc23)cn1
InChIInChI=1S/C16H13N5/c1-11-7-19-13(9-18-11)10-21-16-12(6-17)8-20-15-5-3-2-4-14(15)16/h2-5,7-9H,10H2,1H3,(H,20,21)
InChIKeyHKBMOORPLQRLPX-UHFFFAOYSA-N
XLogP2.82
TPSA74.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.32
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-[(5-methylpyrazin-2-yl)methyl]quinoline-3,4-diamine
CID 103963247
4-(1,3-thiazol-4-ylmethylamino)quinoline-3-carbonitrile
CID 55258412
4-(propylamino)quinoline-3-carbonitrile
CID 43668866
4-[(3-methylthiophen-2-yl)methylamino]quinoline-3-carbonitrile
CID 79033709
4-(methylamino)quinoline-3-carbonitrile
CID 43668892
4-[(2-chlorophenyl)methylamino]quinoline-3-carbonitrile
CID 43668942
4-[(4-methoxyphenyl)methylamino]quinoline-3-carbonitrile
CID 78885590
4-[[4-(methoxymethyl)phenyl]methylamino]quinoline-3-carbonitrile
CID 133310634
4-(1H-imidazol-2-ylmethylamino)quinoline-3-carbonitrile
CID 64531887
4-[[4-(methylsulfonylmethyl)phenyl]methylamino]quinoline-3-carbonitrile
CID 133319712
4-[(4-methyl-1,2,4-triazol-3-yl)methylamino]quinoline-3-carbonitrile
CID 61004801
4-[(5-bromothiophen-2-yl)methylamino]quinoline-3-carbonitrile
CID 61012849

Frequently Asked Questions

What is the IUPAC name of 4-[(5-methylpyrazin-2-yl)methylamino]quinoline-3-carbonitrile?
The IUPAC name of 4-[(5-methylpyrazin-2-yl)methylamino]quinoline-3-carbonitrile (CID 62846842) is 4-[(5-methylpyrazin-2-yl)methylamino]quinoline-3-carbonitrile.
What is the SMILES notation for 4-[(5-methylpyrazin-2-yl)methylamino]quinoline-3-carbonitrile?
The canonical SMILES for 4-[(5-methylpyrazin-2-yl)methylamino]quinoline-3-carbonitrile is Cc1cnc(CNc2c(C#N)cnc3ccccc23)cn1.
What is the InChIKey of 4-[(5-methylpyrazin-2-yl)methylamino]quinoline-3-carbonitrile?
The InChIKey is HKBMOORPLQRLPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N5/c1-11-7-19-13(9-18-11)10-21-16-12(6-17)8-20-15-5-3-2-4-14(15)16/h2-5,7-9H,10H2,1H3,(H,20,21).
What are the key properties of 4-[(5-methylpyrazin-2-yl)methylamino]quinoline-3-carbonitrile?
4-[(5-methylpyrazin-2-yl)methylamino]quinoline-3-carbonitrile has a molecular weight of 275.32 g/mol, XLogP of 2.82, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-methylpyrazin-2-yl)methylamino]quinoline-3-carbonitrile is sourced from PubChem (CID 62846842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).