6-[4-(cyclopropylmethyl)-2,3-dihydroquinoxaline-1-carbonyl]pyridine-3-carbonitrile

C19H18N4O — CID 71985837

IUPAC6-[4-(cyclopropylmethyl)-2,3-dihydroquinoxaline-1-carbonyl]pyridine-3-carbonitrile
SMILESN#Cc1ccc(C(=O)N2CCN(CC3CC3)c3ccccc32)nc1
InChIInChI=1S/C19H18N4O/c20-11-15-7-8-16(21-12-15)19(24)23-10-9-22(13-14-5-6-14)17-3-1-2-4-18(17)23/h1-4,7-8,12,14H,5-6,9-10,13H2
InChIKeyBCNCCOOCKLZKLN-UHFFFAOYSA-N
MW318.38 g/mol
LogP2.83
Rot. Bonds3

About 6-[4-(cyclopropylmethyl)-2,3-dihydroquinoxaline-1-carbonyl]pyridine-3-carbonitrile

6-[4-(cyclopropylmethyl)-2,3-dihydroquinoxaline-1-carbonyl]pyridine-3-carbonitrile (PubChem CID 71985837) has the molecular formula C19H18N4O and a molecular weight of 318.38 g/mol. Its IUPAC name is 6-[4-(cyclopropylmethyl)-2,3-dihydroquinoxaline-1-carbonyl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[4-(cyclopropylmethyl)-2,3-dihydroquinoxaline-1-carbonyl]pyridine-3-carbonitrile
PubChem CID71985837
Molecular FormulaC19H18N4O
Molecular Weight318.38 g/mol
Exact Mass318.15
IUPAC Name6-[4-(cyclopropylmethyl)-2,3-dihydroquinoxaline-1-carbonyl]pyridine-3-carbonitrile
SMILESN#Cc1ccc(C(=O)N2CCN(CC3CC3)c3ccccc32)nc1
InChIInChI=1S/C19H18N4O/c20-11-15-7-8-16(21-12-15)19(24)23-10-9-22(13-14-5-6-14)17-3-1-2-4-18(17)23/h1-4,7-8,12,14H,5-6,9-10,13H2
InChIKeyBCNCCOOCKLZKLN-UHFFFAOYSA-N
XLogP2.83
TPSA60.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(cyclopropylmethyl)-2,3-dihydroquinoxalin-1-yl]-(1H-pyrazol-4-yl)methanone
CID 122143241
[4-(cyclopropylmethyl)-2,3-dihydroquinoxalin-1-yl]-(4-ethylpyrimidin-5-yl)methanone
CID 139005573
5-[4-(cyclopropylmethyl)-2,3-dihydroquinoxaline-1-carbonyl]-1-methylpyrazole-3-carboxylic acid
CID 138028434
6-(4-aminopiperidine-1-carbonyl)pyridine-3-carbonitrile
CID 63723580
6-[3-(methoxymethyl)pyrrolidine-1-carbonyl]pyridine-3-carbonitrile
CID 64598709
6-[4-(methylaminomethyl)piperidine-1-carbonyl]pyridine-3-carbonitrile
CID 63724415
6-[4-(dimethylamino)piperidine-1-carbonyl]pyridine-3-carbonitrile
CID 63719374
6-(3,4-dimethylpyrrolidine-1-carbonyl)pyridine-3-carbonitrile
CID 79036597
6-(3-hydroxy-4-methylpiperidine-1-carbonyl)pyridine-3-carbonitrile
CID 103900440
6-[2-(bromomethyl)-3-methylpyrrolidine-1-carbonyl]pyridine-3-carbonitrile
CID 102788235
6-[2-[[cyclopropylmethyl(methyl)amino]methyl]morpholine-4-carbonyl]pyridine-3-carbonitrile
CID 128973859
3-[1-(5-cyanopyridine-2-carbonyl)piperidin-2-yl]propanoic acid
CID 63722666

Frequently Asked Questions

What is the IUPAC name of 6-[4-(cyclopropylmethyl)-2,3-dihydroquinoxaline-1-carbonyl]pyridine-3-carbonitrile?
The IUPAC name of 6-[4-(cyclopropylmethyl)-2,3-dihydroquinoxaline-1-carbonyl]pyridine-3-carbonitrile (CID 71985837) is 6-[4-(cyclopropylmethyl)-2,3-dihydroquinoxaline-1-carbonyl]pyridine-3-carbonitrile.
What is the SMILES notation for 6-[4-(cyclopropylmethyl)-2,3-dihydroquinoxaline-1-carbonyl]pyridine-3-carbonitrile?
The canonical SMILES for 6-[4-(cyclopropylmethyl)-2,3-dihydroquinoxaline-1-carbonyl]pyridine-3-carbonitrile is N#Cc1ccc(C(=O)N2CCN(CC3CC3)c3ccccc32)nc1.
What is the InChIKey of 6-[4-(cyclopropylmethyl)-2,3-dihydroquinoxaline-1-carbonyl]pyridine-3-carbonitrile?
The InChIKey is BCNCCOOCKLZKLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O/c20-11-15-7-8-16(21-12-15)19(24)23-10-9-22(13-14-5-6-14)17-3-1-2-4-18(17)23/h1-4,7-8,12,14H,5-6,9-10,13H2.
What are the key properties of 6-[4-(cyclopropylmethyl)-2,3-dihydroquinoxaline-1-carbonyl]pyridine-3-carbonitrile?
6-[4-(cyclopropylmethyl)-2,3-dihydroquinoxaline-1-carbonyl]pyridine-3-carbonitrile has a molecular weight of 318.38 g/mol, XLogP of 2.83, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(cyclopropylmethyl)-2,3-dihydroquinoxaline-1-carbonyl]pyridine-3-carbonitrile is sourced from PubChem (CID 71985837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).