4-[2-[[phenyl(1,2,3,4-tetrahydropyrido[2,3-b]pyrazin-3-yl)methyl]amino]ethyl]benzonitrile

C23H23N5 — CID 176990480

IUPAC4-[2-[[phenyl(1,2,3,4-tetrahydropyrido[2,3-b]pyrazin-3-yl)methyl]amino]ethyl]benzonitrile
SMILESN#Cc1ccc(CCNC(c2ccccc2)C2CNc3cccnc3N2)cc1
InChIInChI=1S/C23H23N5/c24-15-18-10-8-17(9-11-18)12-14-25-22(19-5-2-1-3-6-19)21-16-27-20-7-4-13-26-23(20)28-21/h1-11,13,21-22,25,27H,12,14,16H2,(H,26,28)
InChIKeyNWHPJNQMKRZCQW-UHFFFAOYSA-N
MW369.47 g/mol
LogP3.73
Rot. Bonds6

About 4-[2-[[phenyl(1,2,3,4-tetrahydropyrido[2,3-b]pyrazin-3-yl)methyl]amino]ethyl]benzonitrile

4-[2-[[phenyl(1,2,3,4-tetrahydropyrido[2,3-b]pyrazin-3-yl)methyl]amino]ethyl]benzonitrile (PubChem CID 176990480) has the molecular formula C23H23N5 and a molecular weight of 369.47 g/mol. Its IUPAC name is 4-[2-[[phenyl(1,2,3,4-tetrahydropyrido[2,3-b]pyrazin-3-yl)methyl]amino]ethyl]benzonitrile.

Molecular Properties

Compound Name4-[2-[[phenyl(1,2,3,4-tetrahydropyrido[2,3-b]pyrazin-3-yl)methyl]amino]ethyl]benzonitrile
PubChem CID176990480
Molecular FormulaC23H23N5
Molecular Weight369.47 g/mol
Exact Mass369.20
IUPAC Name4-[2-[[phenyl(1,2,3,4-tetrahydropyrido[2,3-b]pyrazin-3-yl)methyl]amino]ethyl]benzonitrile
SMILESN#Cc1ccc(CCNC(c2ccccc2)C2CNc3cccnc3N2)cc1
InChIInChI=1S/C23H23N5/c24-15-18-10-8-17(9-11-18)12-14-25-22(19-5-2-1-3-6-19)21-16-27-20-7-4-13-26-23(20)28-21/h1-11,13,21-22,25,27H,12,14,16H2,(H,26,28)
InChIKeyNWHPJNQMKRZCQW-UHFFFAOYSA-N
XLogP3.73
TPSA72.77 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 53.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-[2-[[(3-fluorophenyl)-(1,2,3,4-tetrahydropyrido[2,3-b]pyrazin-3-yl)methyl]amino]ethyl]benzonitrile
CID 176990216
4-[2-[[(3S)-1,2,3,4-tetrahydropyrido[2,3-b]pyrazin-3-yl]methylamino]ethyl]benzonitrile
CID 176991303
4-[(2R)-1-[(1R)-1-phenyl-2-[(3R)-1,2,3,4-tetrahydropyrido[2,3-b]pyrazin-3-yl]propoxy]propan-2-yl]benzonitrile
CID 176991518
(3R)-3-[(R)-[2-(4-cyanophenyl)ethylamino]-(1-methylpyrazol-4-yl)methyl]-1,2,3,4-tetrahydroquinoxaline-5-carbonitrile
CID 177174650
4-[2-[[[7-[(Z)-3-methylimino-1-phosphanylprop-1-en-2-yl]-2-oxo-3,4-dihydro-1H-pyrido[2,3-b]pyrazin-3-yl]-phenylmethyl]amino]ethyl]benzonitrile
CID 176991302
(2S)-2-[2-(4-cyanophenyl)ethylamino]-2-phenyl-N-(5-pyrazolidin-4-yl-2-pyridinyl)acetamide
CID 164515055
ethane;4-[2-[[[7-[(Z)-1-imino-4-methylpent-2-en-2-yl]-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-3-yl]-pyridin-3-ylmethyl]amino]ethyl]benzonitrile
CID 176991007
2-[3-[2-[[(S)-[(2R)-8-cyano-1,2,3,4-tetrahydroquinoxalin-2-yl]-(3-fluorophenyl)methyl]amino]ethyl]phenyl]-2-methylpropanoic acid
CID 176991354
2-[[4-[2-[[(S)-phenyl-[(3R)-1,2,3,4-tetrahydro-1,5-naphthyridin-3-yl]methyl]amino]ethyl]-2-pyridinyl]oxy]acetic acid
CID 176990713
N-[5-(1-acetylpiperidin-4-yl)oxy-2-pyridinyl]-2-[2-(4-cyanophenyl)ethylamino]-2-phenylacetamide
CID 154694146
N-[5-(1-acetylpiperidin-3-yl)oxy-2-pyridinyl]-2-[2-(4-cyanophenyl)ethylamino]-2-phenylacetamide
CID 175622897
(2S)-2-[2-(4-cyanophenyl)ethylamino]-N-[6-(1-methylpyrazol-4-yl)-3-pyridinyl]-2-phenylacetamide
CID 139426243

Frequently Asked Questions

What is the IUPAC name of 4-[2-[[phenyl(1,2,3,4-tetrahydropyrido[2,3-b]pyrazin-3-yl)methyl]amino]ethyl]benzonitrile?
The IUPAC name of 4-[2-[[phenyl(1,2,3,4-tetrahydropyrido[2,3-b]pyrazin-3-yl)methyl]amino]ethyl]benzonitrile (CID 176990480) is 4-[2-[[phenyl(1,2,3,4-tetrahydropyrido[2,3-b]pyrazin-3-yl)methyl]amino]ethyl]benzonitrile.
What is the SMILES notation for 4-[2-[[phenyl(1,2,3,4-tetrahydropyrido[2,3-b]pyrazin-3-yl)methyl]amino]ethyl]benzonitrile?
The canonical SMILES for 4-[2-[[phenyl(1,2,3,4-tetrahydropyrido[2,3-b]pyrazin-3-yl)methyl]amino]ethyl]benzonitrile is N#Cc1ccc(CCNC(c2ccccc2)C2CNc3cccnc3N2)cc1.
What is the InChIKey of 4-[2-[[phenyl(1,2,3,4-tetrahydropyrido[2,3-b]pyrazin-3-yl)methyl]amino]ethyl]benzonitrile?
The InChIKey is NWHPJNQMKRZCQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5/c24-15-18-10-8-17(9-11-18)12-14-25-22(19-5-2-1-3-6-19)21-16-27-20-7-4-13-26-23(20)28-21/h1-11,13,21-22,25,27H,12,14,16H2,(H,26,28).
What are the key properties of 4-[2-[[phenyl(1,2,3,4-tetrahydropyrido[2,3-b]pyrazin-3-yl)methyl]amino]ethyl]benzonitrile?
4-[2-[[phenyl(1,2,3,4-tetrahydropyrido[2,3-b]pyrazin-3-yl)methyl]amino]ethyl]benzonitrile has a molecular weight of 369.47 g/mol, XLogP of 3.73, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[[phenyl(1,2,3,4-tetrahydropyrido[2,3-b]pyrazin-3-yl)methyl]amino]ethyl]benzonitrile is sourced from PubChem (CID 176990480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).